CHEBI:165777 - 13S-HOTrE(gamma)

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ChEBI Name 13S-HOTrE(gamma)
ChEBI ID CHEBI:165777
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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/h4,6-7,9,12,15,17,19H,2-3,5,8,10-11,13-14,16H2,1H3,(H,20,21)/b6-4-,9-7-,15-12+/t17-/m0/s1
InChIKey HNBLUNXZQNJFRB-KYLWABQHSA-N
SMILES O[C@@H](CCCCC)/C=C/C=C\C/C=C\CCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 13S-HOTrE(gamma) (CHEBI:165777) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name
(6Z,9Z,11E,13S)-13-hydroxyoctadeca-6,9,11-trienoic acid
Manual Xrefs Databases
4446098 ChemSpider
LMFA02000173 LIPID MAPS
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Registry Number Type Source
74784-20-6 CAS Registry Number ChemIDplus
Last Modified
23 February 2022