CHEBI:186209 - Malyngic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Malyngic acid
ChEBI ID CHEBI:186209
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O5
Net Charge 0
Average Mass 328.449
Monoisotopic Mass 328.22497
InChI InChI=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
InChIKey MKYUCBXUUSZMQB-OADLNGDBSA-N
SMILES O[C@@H](CCCCCCCC(O)=O)/C=C/[C@@H](O)[C@@H](O)C/C=C\CC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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 )
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ChEBI Ontology
Outgoing 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 Xrefs Databases
8124959 ChemSpider
LMFA01050531 LIPID MAPS
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Last Modified
24 February 2022