CHEBI:80447 - 9(S)-HOTrE

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ChEBI Name 9(S)-HOTrE
ChEBI ID CHEBI:80447
ChEBI ASCII Name 9(S)-HOTrE
Definition A 9-HOTrE consisting of (10E,12Z,15Z)-octadecatrienoic acid in which the 9-hydroxy group has S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H30O3
Net Charge 0
Average Mass 294.430
Monoisotopic Mass 294.21949
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1
InChIKey RIGGEAZDTKMXSI-MEBVTJQTSA-N
SMILES C(CCCC(O)=O)CCC[C@@H](/C=C/C=C\C/C=C\CC)O
Metabolite of Species Details
Ehretia dicksonii (NCBI:txid1398146) See: PubMed
Glechoma hederacea (NCBI:txid28509) Found in leaf (BTO:0000713). See: PubMed
Arabidopsis thaliana (NCBI:txid3702) See: PubMed
Nicotiana tabacum (NCBI:txid4097) See: PubMed
Solanum tuberosum (NCBI:txid4113) See: PubMed
Pistia stratiotes (NCBI:txid4477) See: PubMed
Homo sapiens (NCBI:txid9606) 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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via 9-HOTrE )
(via HOTrE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9(S)-HOTrE (CHEBI:80447) has role plant metabolite (CHEBI:76924)
9(S)-HOTrE (CHEBI:80447) is a 9-HOTrE (CHEBI:72625)
IUPAC Name
(9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
Synonyms Sources
(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid KEGG COMPOUND
(9S,10E,12Z,15Z)-9-hydroxyoctadecatrienoic acid ChEBI
9(S)-HOT ChEBI
9-Hydroxy-10,12,15-octadecatrienoic acid ChemIDplus
9S-HOTrE ChEBI
Manual Xrefs Databases
C00048303 KNApSAcK
C16326 KEGG COMPOUND
LMFA02000024 LIPID MAPS
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Registry Numbers Types Sources
5750403 Reaxys Registry Number Reaxys
89886-42-0 CAS Registry Number KNApSAcK
89886-42-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10830513 PubMed citation Europe PMC
12882150 PubMed citation Europe PMC
21481031 PubMed citation Europe PMC
23370715 PubMed citation Europe PMC
23479199 PubMed citation Europe PMC
24258601 PubMed citation Europe PMC
2598926 PubMed citation Europe PMC
27073862 PubMed citation Europe PMC
Last Modified
08 June 2016