CHEBI:185070 - 9R,10S,18-trihydroxy-stearic acid

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ChEBI Name 9R,10S,18-trihydroxy-stearic acid
ChEBI ID CHEBI:185070
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H36O5
Net Charge 0
Average Mass 332.481
Monoisotopic Mass 332.25627
InChI InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)/t16-,17+/m0/s1
InChIKey OISFHODBOQNZAG-DLBZAZTESA-N
SMILES O[C@H]([C@H](O)CCCCCCCC(O)=O)CCCCCCCCO
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,10S,18-trihydroxy-stearic acid (CHEBI:185070) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(9R,10S)-9,10,18-trihydroxyoctadecanoic acid
Manual Xref Database
LMFA02000006 LIPID MAPS
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Registry Number Type Source
17673-81-3 CAS Registry Number ChemIDplus