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: (2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4S)-4-hydroxy-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
Accession: CHEBI:125479
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Definition: A fatty acid ester that has formula C23H36O4.
Synonyms: related_synonym: Formula=C23H36O4; InChI=1S/C23H36O4/c1-4-15(2)23(25)27-21-7-5-6-17-9-8-16(3)20(22(17)21)11-10-19-14-18(24)12-13-26-19/h6,8-9,15-16,18-22,24H,4-5,7,10-14H2,1-3H3/t15-,16-,18-,19+,20-,21-,22-/m0/s1; InChIKey=PCRLJXQATRCBPW-SOWWUCBVSA-N; SMILES=CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CCO3)O
xref: LINCS:LSM-36977
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
499
chemical entity
499
group
493
inorganic group
442
oxo group
404
organic oxo compound
404
carbonyl compound
404
carboxylic ester
102
fatty acid ester
7
(2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4S)-4-hydroxy-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
0
Path 2
CHEBI ontology
499
subatomic particle
499
composite particle
499
hadron
499
baryon
499
nucleon
499
atomic nucleus
499
atom
499
main group element atom
492
p-block element atom
492
carbon group element atom
481
carbon atom
480
organic molecular entity
480
heteroorganic entity
476
organochalcogen compound
430
organooxygen compound
428
carbon oxoacid
368
carboxylic acid
368
monocarboxylic acid
92
fatty acid
60
fatty acid derivative
16
fatty acid ester
7
(2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4S)-4-hydroxy-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
0