CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-22-[4-[2-[2-[2-[2-[4-(octoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
Accession: CHEBI:149953
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Synonyms: related_synonym: Formula=C88H97Cl2N13O28; InChI=1S/C88H97Cl2N13O28/c1-3-4-5-6-7-8-18-125-41-50-38-102(100-98-50)17-19-122-20-21-123-22-23-124-24-25-126-42-51-39-103(101-99-51)76-46-11-14-61(109)65(32-46)127-54-29-48(28-52(106)35-54)71-83(116)95-72-49-33-66(128-63-15-9-44(26-57(63)89)27-59(81(114)93-71)92-86(76)119)77(111)67(34-49)129-64-16-12-47(31-58(64)90)80(131-88-74(91-43(2)105)79(113)78(112)68(40-104)130-88)75-85(118)96-73(87(120)121)56-36-53(107)37-62(110)69(56)55-30-45(10-13-60(55)108)70(82(115)97-75)94-84(72)117/h9-16,26,28-39,59,68,70-76,78-80,84,88,94,104,106-113,117H,3-8,17-25,27,40-42H2,1-2H3,(H,91,105)(H,92,119)(H,93,114)(H,95,116)(H,96,118)(H,97,115)(H,120,121)/t59-,68-,70-,71+,72-,73-,74-,75-,76-,78-,79-,80-,84?,88+/m1/s1; InChIKey=KTSYQFBIZZEHEM-AFCWIRMISA-N; SMILES=O[C@H]1[C@@H]([C@H]([C@H](O[C@]2([C@]3([H])C(N[C@H](C4=C(C=5C(O)=CC=C([C@]([H])(C(=O)N3)NC(O)[C@@]6(NC(=O)[C@@]7([H])NC(=O)[C@](CC=8C=C(Cl)C(OC9=C(O)C(=CC6=C9)OC=%10C(Cl)=CC2=CC%10)=CC8)([H])NC(=O)[C@H](N%11N=NC(COCCOCCOCCOCCN%12C=C(COCCCCCCCC)N=N%12)=C%11)C=%13C=C(C(=CC%13)O)OC=%14C=C7C=C(C%14)O)[H])C5)C(O)=CC(O)=C4)C(=O)O)=O)[H])O[C@@H]1CO)NC(=O)C)O
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
role
19818
biological role
19785
antimicrobial agent
18104
antiviral agent
11061
anticoronaviral agent
9656
(1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-22-[4-[2-[2-[2-[2-[4-(octoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
0
Path 2
CHEBI ontology
19811
subatomic particle
19809
composite particle
19809
hadron
19840
baryon
19809
nucleon
19809
atomic nucleus
19809
atom
19809
main group element atom
19759
p-block element atom
19759
carbon group element atom
19708
carbon atom
19734
organic molecular entity
19705
heteroorganic entity
19459
organochalcogen compound
19222
organooxygen compound
19137
carbon oxoacid
18597
carboxylic acid
18594
carboacyl group
17675
univalent carboacyl group
17675
carbamoyl group
17524
carboxamide
17547
peptide
11120
oligopeptide
1334
(1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-22-[4-[2-[2-[2-[2-[4-(octoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
0