CHEBI:84441 - 13(S)-HOTrE

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ChEBI Name 13(S)-HOTrE
ChEBI ID CHEBI:84441
ChEBI ASCII Name 13(S)-HOTrE
Definition The (13S)-stereoisomer of HOTrE.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:80442
Supplier Information
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Formula C18H30O3
Net Charge 0
Average Mass 294.435
Monoisotopic Mass 294.21949
InChI InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1
InChIKey KLLGGGQNRTVBSU-FQSPHKRJSA-N
SMILES C(CCCC(O)=O)CCC/C=C\C=C\[C@H](C/C=C\CC)O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via HOTrE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 13(S)-HOTrE (CHEBI:84441) has role mouse metabolite (CHEBI:75771)
13(S)-HOTrE (CHEBI:84441) is a 13-HOTrE (CHEBI:72641)
13(S)-HOTrE (CHEBI:84441) is conjugate acid of 13(S)-HOTrE(1−) (CHEBI:90773)
Incoming 13(S)-HOTrE(1−) (CHEBI:90773) is conjugate base of 13(S)-HOTrE (CHEBI:84441)
IUPAC Name
(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
Synonyms Sources
(9Z,11E,15Z)-(13S)-13-hydroxyoctadeca-9,11,15-trienoic acid KEGG COMPOUND
13(S)-HOTrE KEGG COMPOUND
Manual Xrefs Databases
C16316 KEGG COMPOUND
LMFA02000051 LIPID MAPS
T24 PDBeChem
View more database links
Registry Number Type Source
5336126 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18716621 PubMed citation Europe PMC
Last Modified
14 January 2020