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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4,5-epoxy-17R-HDHA
ChEBI ID CHEBI:187528
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000030729497
Download Molfile XML SDF
Formula C25H34O4
Net Charge 0
Average Mass 398.543
Monoisotopic Mass 398.24571
InChI InChI=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
InChIKey HYQCQILXVIDNOI-NZAMOUBZSA-N
SMILES O1C(C1/C=C/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CC)CCC(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 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
Manual Xref Database
LMFA04000078 LIPID MAPS
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