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CHEBI:186209 - Malyngic acid

ChEBI IDCHEBI:186209
ChEBI NameMalyngic acid
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O5
Net Charge0
Average Mass328.449
Monoisotopic Mass328.22497
SMILESCC/C=C\C[C@H](O)[C@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O
InChIInChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16-,17+/m0/s1
InChIKeyMKYUCBXUUSZMQB-OADLNGDBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Malyngic acid (CHEBI:186209) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name 
(9S,10E,12R,13S,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid
Manual XrefsDatabases
8124959ChemSpider
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