CHEBI:185229 - 9,12-dimethoxy-13-hydroxy-10-octadecenoic acid

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ChEBI Name 9,12-dimethoxy-13-hydroxy-10-octadecenoic acid
ChEBI ID CHEBI:185229
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H38O5
Net Charge 0
Average Mass 358.519
Monoisotopic Mass 358.27192
InChI InChI=1S/C20H38O5/c1-4-5-9-13-18(21)19(25-3)16-15-17(24-2)12-10-7-6-8-11-14-20(22)23/h15-19,21H,4-14H2,1-3H3,(H,22,23)/b16-15+
InChIKey NMFUHXXKMLKRGE-FOCLMDBBSA-N
SMILES O(C(C(O)CCCCC)/C=C/C(OC)CCCCCCCC(O)=O)C
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9,12-dimethoxy-13-hydroxy-10-octadecenoic acid (CHEBI:185229) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E)-13-hydroxy-9,12-dimethoxyoctadec-10-enoic acid
Manual Xrefs Databases
4446152 ChemSpider
LMFA01080005 LIPID MAPS
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