CHEBI:185426 - (6R,9R,12S)-d10-5-IsoF[5S,8S]

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ChEBI Name (6R,9R,12S)-d10-5-IsoF[5S,8S]
ChEBI ID CHEBI:185426
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O6
Net Charge 0
Average Mass 370.486
Monoisotopic Mass 370.23554
InChI InChI=1S/C20H34O6/c1-2-3-4-5-6-7-9-15(21)12-13-16(22)19-14-17(23)18(26-19)10-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12-/t15-,16+,17+,18-,19-/m0/s1
InChIKey DCDVQFUNHMSNRJ-XSPGLJRKSA-N
SMILES O1[C@H]([C@H](O)C[C@]1([C@H](O)/C=C\[C@@H](O)C/C=C\CCCCC)[H])CCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (6R,9R,12S)-d10-5-IsoF[5S,8S] (CHEBI:185426) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name
4-[(2S,3R,5S)-5-[(1R,2Z,4S,6Z)-1,4-dihydroxydodeca-2,6-dienyl]-3-hydroxyoxolan-2-yl]butanoic acid
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