Path 1 |
CHEBI ontology |
19921 |
 |
role |
19896 |
 |
chemical role |
19512 |
 |
donor |
18914 |
 |
Bronsted acid |
18784 |
 |
oxoacid |
18756 |
 |
carbon oxoacid |
18625 |
 |
carboxylic acid |
18622 |
 |
(+)-Boronolide |
0 |
 |
(2R,2(1)S)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid + |
35 |
 |
(2R,2(1)S)8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-13-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-17-propanoic acid + |
35 |
 |
(2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester |
0 |
 |
(2S,2(1)R)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-13-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-17-propanoic acid + |
35 |
 |
(2S,2(1)R)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid + |
35 |
 |
(2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid |
0 |
 |
(3R,4R)-4-hydroxy-1,1-dimethyl-3-pyrrolidin-1-iumcarboxylic acid |
0 |
 |
(7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid peptidyl-aspartate ester |
0 |
 |
(R)-2-halocarboxylic acid |
0 |
 |
(S)-2-(4-Methoxyphenoxy)propanoic acid |
0 |
 |
(S)-2-halocarboxylic acid |
0 |
 |
1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester |
0 |
 |
1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid |
0 |
 |
1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid |
0 |
 |
1-(5-carboxypentyl)pyrraline |
0 |
 |
1-(Trifluoromethyl)cyclopentane-1-carboxylic acid |
0 |
 |
1-Piperidine carboxylic acid |
0 |
 |
1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester |
0 |
 |
1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester |
0 |
 |
1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester |
0 |
 |
1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester |
0 |
 |
2,2-Dichloropropanoate |
0 |
 |
2,3-dimethyloxirane-2-carboxylic acid |
0 |
 |
2-(1-Ethoxyethoxy)propanoic acid |
0 |
 |
2-(2-cyclopentenyl)-ethanoic acid |
0 |
 |
2-(difluoromethoxy)-2,2-difluoroacetic acid |
0 |
 |
2-(pentylsulfanyl)acetic acid + |
0 |
 |
2-Phenoxypropionic acid |
0 |
 |
2-[3]-ladderane ethanoic acid |
0 |
 |
2-[4a-formyl-5-(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid |
0 |
 |
2-bromocarboxylic acid + |
145 |
 |
2-methyl-3-phenyloxirane-2-carboxylic acid |
0 |
 |
3,3-dichloro-propionic acid |
0 |
 |
3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid |
0 |
 |
3-Hydroxypropenoate |
0 |
 |
3-Methylpyrrole-2,4-dicarboxylic acid |
0 |
 |
3-Phenoxypropionic acid |
0 |
 |
3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoic acid + |
13 |
 |
3-phenyloxirane-2-carboxylic acid |
0 |
 |
4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-indene-1-carboxylic acid |
0 |
 |
4-(2-benzamidoethylamino)-1-piperidinecarboxylic acid ethyl ester |
0 |
 |
4-Methyl-3-oxoadipate-enol-lactone |
0 |
 |
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester |
0 |
 |
4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid |
0 |
 |
4-\{((R)-2-Carboxy-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-[(Z)-methoxyimino]-methyl\}-thiazol-2-yl-ammonium + |
0 |
 |
5-oxo-1-(2-phenylethyl)-3-pyrrolidinecarboxylic acid |
0 |
 |
6-\{hydroxy[(4-nitrobenzyl)oxy]phosphoryl\}hexanoic acid |
0 |
 |
Alepramic acid |
0 |
 |
Aleprolic acid |
0 |
 |
Asn-Ile |
0 |
 |
Butoxyacetic acid |
2 |
 |
Cycloheptanecarboxylic acid |
0 |
 |
Cyclopentylacetic acid |
0 |
 |
Cys-Ser |
0 |
 |
Dalapon |
0 |
 |
Decahydro-2-naphthoic acid |
0 |
 |
Diisopropylamine dichloroacetate |
0 |
 |
Ethoxyacetic acid |
5 |
 |
Ethyl 1-benzyl-3-hydroxy- 2-oxo[5H]pyrrole-4-carboxylate |
1 |
 |
Ethyl 2-Bromo-2-iodoacetate |
0 |
 |
Ethyl phenylglycidate |
1 |
 |
Flupropanate |
0 |
 |
Hexadecyl trichloroacetate |
0 |
 |
Hydroxyminaline |
0 |
 |
LSM-10020 |
0 |
 |
LSM-10238 |
0 |
 |
LSM-10579 |
0 |
 |
LSM-10741 |
0 |
 |
LSM-11260 |
0 |
 |
LSM-13069 |
0 |
 |
LSM-14584 |
0 |
 |
LSM-14673 |
0 |
 |
LSM-9293 |
0 |
 |
LSM-9646 |
0 |
 |
Mafenide acetate |
0 |
 |
N-(1-naphthyl)carboxamide + |
0 |
 |
N-(2-naphthyl)carboxamide + |
1 |
 |
N-BOC-3-Pyrroline |
0 |
 |
N-[(2S)-2-aminobutanoyl]glycine |
0 |
 |
N-acyl-amino acid + |
10103 |
 |
Phenylmethylglycidic ester |
0 |
 |
Pradimicinone II |
0 |
 |
TRIFLUOROACETIC ACID ETHYL ESTER |
0 |
 |
Tubulysin A |
0 |
 |
Tubulysin D |
0 |
 |
[(ppy)2Ir(mbpy-monoacid)]Cl |
0 |
 |
[6)-alpha-D-Glcp-(1->4)-alpha-D-NeupAc-(2->]n |
0 |
 |
alpha-D-Kdo-4P-O(CH2)3S(CH2)2NH(polyacrylamide) macromolecule + |
0 |
 |
alpha-D-Kdo-5P-O(CH2)3S(CH2)2NH(polyacrylamide) macromolecule + |
0 |
 |
alpha-Fluoro-beta-ureidopropionic acid |
0 |
 |
alpha-N-substituted L-arginine + |
10 |
 |
amino acid + |
15626 |
 |
aromatic carboxylic acid + |
12042 |
 |
aspartame |
169 |
 |
azetidinecarboxylic acid + |
6 |
 |
benzyl ester + |
320 |
 |
biphenylyl carboxylic acid + |
0 |
 |
bromoacetate |
44 |
 |
butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate |
0 |
 |
carboacyl group + |
17704 |
 |
carbohydrate acid + |
922 |
 |
carboxyalkyl phosphate + |
0 |
 |
carlosic acid + |
0 |
 |
cefalotin + |
15 |
 |
cefatrizine |
0 |
 |
cefazedone |
0 |
 |
cefcapene |
0 |
 |
cefditoren + |
0 |
 |
cefiderocol |
0 |
 |
cefpiramide |
0 |
 |
cefpodoxime + |
1 |
 |
cefpodoxime proxetil |
0 |
 |
chlorocarboxylic acid + |
1030 |
 |
cinalukast |
0 |
 |
deuterio 3,3-dideuterio-2-fluoroprop-2-enoate |
0 |
 |
dicarboxylic acid + |
10588 |
 |
dicarboxylic acid monoester + |
1602 |
 |
dimethyloxirane-2-carboxylic acid |
0 |
 |
ethyl ester + |
3591 |
 |
gibberellin + |
6 |
 |
hexacarboxylic acid + |
0 |
 |
hydroxy carboxylic acid + |
3775 |
 |
indolyl carboxylic acid + |
3452 |
 |
monocarboxylic acid + |
17939 |
 |
naptalam |
0 |
 |
octacarboxylic acid + |
0 |
 |
oxo carboxylic acid + |
6315 |
 |
penicillanic acids + |
302 |
 |
penillic acid + |
0 |
 |
pentacarboxylic acid + |
17 |
 |
perquinoline A |
0 |
 |
perquinoline B |
0 |
 |
perquinoline C |
0 |
 |
phosphonoformic acid + |
9 |
 |
piperazinecarboxylic acid + |
0 |
 |
poly(methacrylic acid) macromolecule + |
0 |
 |
pradimicin A |
0 |
 |
proteinogenic amino acid + |
12816 |
 |
pyrazinecarboxylic acid + |
43 |
 |
pyrimidinecarboxylic acid + |
17 |
 |
pyrrolidinecarboxylic acid + |
250 |
 |
rifamycin B |
0 |
 |
sevadicin |
0 |
 |
silyl ester + |
0 |
 |
sulfur-containing carboxylic acid + |
6637 |
 |
tensyuic acid + |
0 |
 |
tetracarboxylic acid + |
516 |
 |
thiophenecarboxylic acid + |
14 |
 |
trans-2-Hexyl-1-cyclopropaneacetic acid |
0 |
 |
treprostinil + |
1 |
 |
tricarboxylic acid + |
2481 |
 |
ureidocarboxylic acid + |
0 |
 |
Path 2 |
CHEBI ontology |
19921 |
 |
subatomic particle |
19919 |
 |
composite particle |
19919 |
 |
hadron |
19919 |
 |
baryon |
19919 |
 |
nucleon |
19919 |
 |
atomic nucleus |
19919 |
 |
atom |
19919 |
 |
main group element atom |
19867 |
 |
p-block element atom |
19867 |
 |
carbon group element atom |
19812 |
 |
carbon atom |
19807 |
 |
organic molecular entity |
19807 |
 |
organic group |
18971 |
 |
organic divalent group |
18952 |
 |
organodiyl group |
18952 |
 |
carbonyl group |
18905 |
 |
carbonyl compound |
18905 |
 |
carboxylic acid |
18622 |
 |
(+)-Boronolide |
0 |
 |
(2R,2(1)S)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid + |
35 |
 |
(2R,2(1)S)8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-13-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-17-propanoic acid + |
35 |
 |
(2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester |
0 |
 |
(2S,2(1)R)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-13-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-17-propanoic acid + |
35 |
 |
(2S,2(1)R)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid + |
35 |
 |
(2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid |
0 |
 |
(3R,4R)-4-hydroxy-1,1-dimethyl-3-pyrrolidin-1-iumcarboxylic acid |
0 |
 |
(7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid peptidyl-aspartate ester |
0 |
 |
(R)-2-halocarboxylic acid |
0 |
 |
(S)-2-(4-Methoxyphenoxy)propanoic acid |
0 |
 |
(S)-2-halocarboxylic acid |
0 |
 |
1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester |
0 |
 |
1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid |
0 |
 |
1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid |
0 |
 |
1-(5-carboxypentyl)pyrraline |
0 |
 |
1-(Trifluoromethyl)cyclopentane-1-carboxylic acid |
0 |
 |
1-Piperidine carboxylic acid |
0 |
 |
1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester |
0 |
 |
1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester |
0 |
 |
1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester |
0 |
 |
1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester |
0 |
 |
2,2-Dichloropropanoate |
0 |
 |
2,3-dimethyloxirane-2-carboxylic acid |
0 |
 |
2-(1-Ethoxyethoxy)propanoic acid |
0 |
 |
2-(2-cyclopentenyl)-ethanoic acid |
0 |
 |
2-(difluoromethoxy)-2,2-difluoroacetic acid |
0 |
 |
2-(pentylsulfanyl)acetic acid + |
0 |
 |
2-Phenoxypropionic acid |
0 |
 |
2-[3]-ladderane ethanoic acid |
0 |
 |
2-[4a-formyl-5-(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid |
0 |
 |
2-bromocarboxylic acid + |
145 |
 |
2-methyl-3-phenyloxirane-2-carboxylic acid |
0 |
 |
3,3-dichloro-propionic acid |
0 |
 |
3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid |
0 |
 |
3-Hydroxypropenoate |
0 |
 |
3-Methylpyrrole-2,4-dicarboxylic acid |
0 |
 |
3-Phenoxypropionic acid |
0 |
 |
3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoic acid + |
13 |
 |
3-phenyloxirane-2-carboxylic acid |
0 |
 |
4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-indene-1-carboxylic acid |
0 |
 |
4-(2-benzamidoethylamino)-1-piperidinecarboxylic acid ethyl ester |
0 |
 |
4-Methyl-3-oxoadipate-enol-lactone |
0 |
 |
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester |
0 |
 |
4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid |
0 |
 |
4-\{((R)-2-Carboxy-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-[(Z)-methoxyimino]-methyl\}-thiazol-2-yl-ammonium + |
0 |
 |
5-oxo-1-(2-phenylethyl)-3-pyrrolidinecarboxylic acid |
0 |
 |
6-\{hydroxy[(4-nitrobenzyl)oxy]phosphoryl\}hexanoic acid |
0 |
 |
Alepramic acid |
0 |
 |
Aleprolic acid |
0 |
 |
Asn-Ile |
0 |
 |
Butoxyacetic acid |
2 |
 |
Cycloheptanecarboxylic acid |
0 |
 |
Cyclopentylacetic acid |
0 |
 |
Cys-Ser |
0 |
 |
Dalapon |
0 |
 |
Decahydro-2-naphthoic acid |
0 |
 |
Diisopropylamine dichloroacetate |
0 |
 |
Ethoxyacetic acid |
5 |
 |
Ethyl 1-benzyl-3-hydroxy- 2-oxo[5H]pyrrole-4-carboxylate |
1 |
 |
Ethyl 2-Bromo-2-iodoacetate |
0 |
 |
Ethyl phenylglycidate |
1 |
 |
Flupropanate |
0 |
 |
Hexadecyl trichloroacetate |
0 |
 |
Hydroxyminaline |
0 |
 |
LSM-10020 |
0 |
 |
LSM-10238 |
0 |
 |
LSM-10579 |
0 |
 |
LSM-10741 |
0 |
 |
LSM-11260 |
0 |
 |
LSM-13069 |
0 |
 |
LSM-14584 |
0 |
 |
LSM-14673 |
0 |
 |
LSM-9293 |
0 |
 |
LSM-9646 |
0 |
 |
Mafenide acetate |
0 |
 |
N-(1-naphthyl)carboxamide + |
0 |
 |
N-(2-naphthyl)carboxamide + |
1 |
 |
N-BOC-3-Pyrroline |
0 |
 |
N-[(2S)-2-aminobutanoyl]glycine |
0 |
 |
N-acyl-amino acid + |
10103 |
 |
Phenylmethylglycidic ester |
0 |
 |
Pradimicinone II |
0 |
 |
TRIFLUOROACETIC ACID ETHYL ESTER |
0 |
 |
Tubulysin A |
0 |
 |
Tubulysin D |
0 |
 |
[(ppy)2Ir(mbpy-monoacid)]Cl |
0 |
 |
[6)-alpha-D-Glcp-(1->4)-alpha-D-NeupAc-(2->]n |
0 |
 |
alpha-D-Kdo-4P-O(CH2)3S(CH2)2NH(polyacrylamide) macromolecule + |
0 |
 |
alpha-D-Kdo-5P-O(CH2)3S(CH2)2NH(polyacrylamide) macromolecule + |
0 |
 |
alpha-Fluoro-beta-ureidopropionic acid |
0 |
 |
alpha-N-substituted L-arginine + |
10 |
 |
amino acid + |
15626 |
 |
aromatic carboxylic acid + |
12042 |
 |
aspartame |
169 |
 |
azetidinecarboxylic acid + |
6 |
 |
benzyl ester + |
320 |
 |
biphenylyl carboxylic acid + |
0 |
 |
bromoacetate |
44 |
 |
butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate |
0 |
 |
carboacyl group + |
17704 |
 |
carbohydrate acid + |
922 |
 |
carboxyalkyl phosphate + |
0 |
 |
carlosic acid + |
0 |
 |
cefalotin + |
15 |
 |
cefatrizine |
0 |
 |
cefazedone |
0 |
 |
cefcapene |
0 |
 |
cefditoren + |
0 |
 |
cefiderocol |
0 |
 |
cefpiramide |
0 |
 |
cefpodoxime + |
1 |
 |
cefpodoxime proxetil |
0 |
 |
chlorocarboxylic acid + |
1030 |
 |
cinalukast |
0 |
 |
deuterio 3,3-dideuterio-2-fluoroprop-2-enoate |
0 |
 |
dicarboxylic acid + |
10588 |
 |
dicarboxylic acid monoester + |
1602 |
 |
dimethyloxirane-2-carboxylic acid |
0 |
 |
ethyl ester + |
3591 |
 |
gibberellin + |
6 |
 |
hexacarboxylic acid + |
0 |
 |
hydroxy carboxylic acid + |
3775 |
 |
indolyl carboxylic acid + |
3452 |
 |
monocarboxylic acid + |
17939 |
 |
naptalam |
0 |
 |
octacarboxylic acid + |
0 |
 |
oxo carboxylic acid + |
6315 |
 |
penicillanic acids + |
302 |
 |
penillic acid + |
0 |
 |
pentacarboxylic acid + |
17 |
 |
perquinoline A |
0 |
 |
perquinoline B |
0 |
 |
perquinoline C |
0 |
 |
phosphonoformic acid + |
9 |
 |
piperazinecarboxylic acid + |
0 |
 |
poly(methacrylic acid) macromolecule + |
0 |
 |
pradimicin A |
0 |
 |
proteinogenic amino acid + |
12816 |
 |
pyrazinecarboxylic acid + |
43 |
 |
pyrimidinecarboxylic acid + |
17 |
 |
pyrrolidinecarboxylic acid + |
250 |
 |
rifamycin B |
0 |
 |
sevadicin |
0 |
 |
silyl ester + |
0 |
 |
sulfur-containing carboxylic acid + |
6637 |
 |
tensyuic acid + |
0 |
 |
tetracarboxylic acid + |
516 |
 |
thiophenecarboxylic acid + |
14 |
 |
trans-2-Hexyl-1-cyclopropaneacetic acid |
0 |
 |
treprostinil + |
1 |
 |
tricarboxylic acid + |
2481 |
 |
ureidocarboxylic acid + |
0 |
 |