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CHEBI:80447 - 9(S)-HOTrE

ChEBI IDCHEBI:80447
ChEBI Name9(S)-HOTrE
Stars
ASCII Name9(S)-HOTrE
DefinitionA 9-HOTrE consisting of (10E,12Z,15Z)-octadecatrienoic acid in which the 9-hydroxy group has S-configuration.
Last Modified8 June 2016
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O
InChIInChI=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
InChIKeyRIGGEAZDTKMXSI-MEBVTJQTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS253)
Pistia stratiotes (ncbitaxon:4477) - PubMed (24258601)
Nicotiana tabacum (ncbitaxon:4097) - PubMed (23479199)
Solanum tuberosum (ncbitaxon:4113) - PubMed (12882150)
Arabidopsis thaliana (ncbitaxon:3702) - PubMed (23370715)
Glechoma hederacea (ncbitaxon:28509) leaf (BTO:0000713) PubMed (2598926)
Ehretia dicksonii (ncbitaxon:1398146) - PubMed (10830513)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acidKEGG COMPOUND
9(S)-HOTChEBI
9-Hydroxy-10,12,15-octadecatrienoic acidChemIDplus
(9S,10E,12Z,15Z)-9-hydroxyoctadecatrienoic acidChEBI
9S-HOTrEChEBI
Manual XrefsDatabases
C16326KEGG COMPOUND
LMFA02000024LIPID MAPS
C00048303KNApSAcK
Registry NumbersSources
Reaxys:5750403Reaxys
CAS:89886-42-0KNApSAcK
CAS:89886-42-0ChemIDplus
Citations