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CHEBI:187528 - 4,5-epoxy-17R-HDHA

Default Structure
ChEBI IDCHEBI:187528
ChEBI Name4,5-epoxy-17R-HDHA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O4
Net Charge0
Average Mass398.543
Monoisotopic Mass398.24571
SMILESCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C=C\C=C\C1OC1CCC(=O)O
InChIInChI=1S/C25H34O4/c1-2-3-14-17-22(26)18-15-12-10-8-6-4-5-7-9-11-13-16-19-23-24(29-23)20-21-25(27)28/h3-4,6-7,9-16,18-19,22-24,26H,2,5,8,17,20-21H2,1H3,(H,27,28)/b6-4-,9-7-,12-10-,13-11+,14-3-,18-15+,19-16+/t22-,23?,24?/m1/s1
InChIKeyHYQCQILXVIDNOI-NZAMOUBZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4,5-epoxy-17R-HDHA (CHEBI:187528) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
3-[3-[(1E,3E,5Z,8Z,11Z,13E,15R,17Z)-15-hydroxyicosa-1,3,5,8,11,13,17-heptaenyl]oxiran-2-yl]propanoic acid
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