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: 2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylic acid bis[1-[10,13-dimethyl-2,5,8,11,14-pentaoxo-3,9-di(propan-2-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]ethyl] ester
Accession: CHEBI:91853
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Definition: A cyclic peptide that has formula C62H86N12O16.
Synonyms: related_synonym: Formula=C62H86N12O16; InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)55(80)67-44(53(78)65-42)33(11)88-61(86)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)62(87)89-34(12)45-54(79)66-43(28(3)4)60(85)74-24-18-20-37(74)58(83)70(14)26-39(76)72(16)49(30(7)8)56(81)68-45/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,78)(H,66,79)(H,67,80)(H,68,81); InChIKey=QKRYGAZNLBVXHK-UHFFFAOYSA-N; SMILES=CC1=C2C(=C(C=C1)C(=O)OC(C)C3C(=O)NC(C(=O)N4CCCC4C(=O)N(CC(=O)N(C(C(=O)N3)C(C)C)C)C)C(C)C)N=C5C(=C(C(=O)C(=C5O2)C)N)C(=O)OC(C)C6C(=O)NC(C(=O)N7CCCC7C(=O)N(CC(=O)N(C(C(=O)N6)C(C)C)C)C)C(C)C
xref: LINCS:LSM-1776
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
5053
chemical entity
5053
group
5033
organic group
4648
amino-acid residue
53
peptide
53
cyclic peptide
17
2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylic acid bis[1-[10,13-dimethyl-2,5,8,11,14-pentaoxo-3,9-di(propan-2-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]ethyl] ester
0
Path 2
CHEBI ontology
5053
subatomic particle
5044
composite particle
5044
hadron
5044
baryon
5044
nucleon
5044
atomic nucleus
5044
atom
5044
main group element atom
5015
p-block element atom
5012
carbon group element atom
4929
carbon atom
4928
organic molecular entity
4928
heteroorganic entity
4770
organochalcogen compound
4732
organooxygen compound
4694
carbon oxoacid
368
carboxylic acid
364
carboacyl group
209
univalent carboacyl group
209
carbamoyl group
206
carboxamide
206
peptide
53
cyclic peptide
17
2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylic acid bis[1-[10,13-dimethyl-2,5,8,11,14-pentaoxo-3,9-di(propan-2-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]ethyl] ester
0