CHEBI:186164 - (9R,12R,15S)-d10-13-PhytoF[13S,16S]

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ChEBI Name (9R,12R,15S)-d10-13-PhytoF[13S,16S]
ChEBI ID CHEBI:186164
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O6
Net Charge 0
Average Mass 344.448
Monoisotopic Mass 344.21989
InChI InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17+/m1/s1
InChIKey LWIIWULNZCFOCA-WBWYXKPPSA-N
SMILES O1[C@@](C[C@H](O)[C@@H]1CC)([C@H](O)/C=C/[C@H](O)CCCCCCCC(O)=O)[H]
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 (9R,12R,15S)-d10-13-PhytoF[13S,16S] (CHEBI:186164) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E,9R,12R)-12-[(2S,4S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-9,12-dihydroxydodec-10-enoic acid
Manual Xrefs Databases
113369294 ChemSpider
LMFA02040012 LIPID MAPS
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