CHEBI:187614 - Methyl-(10S)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate

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ChEBI Name Methyl-(10S)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate
ChEBI ID CHEBI:187614
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H32O4
Net Charge 0
Average Mass 348.483
Monoisotopic Mass 348.23006
InChI InChI=1S/C21H32O4/c1-3-4-5-6-10-13-16-19-21(25-19)18(22)15-12-9-7-8-11-14-17-20(23)24-2/h4-5,7-8,10,12-13,15,18-19,21-22H,3,6,9,11,14,16-17H2,1-2H3/b5-4-,8-7-,13-10-,15-12-/t18-,19+,21+/m1/s1
InChIKey TZZBJXZCAVSJCY-LUQRYRFISA-N
SMILES O1[C@H]([C@@H]1C/C=C\C/C=C\CC)[C@H](O)/C=C\C/C=C\CCCC(OC)=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 Methyl-(10S)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate (CHEBI:187614) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
methyl (5Z,8Z,10R)-10-hydroxy-10-[(2S,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]deca-5,8-dienoate
Manual Xrefs Databases
8580918 ChemSpider
LMFA03090012 LIPID MAPS
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