CHEBI:230398 - DG(15:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)

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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 DG(15:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
ChEBI ID CHEBI:230398
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H64O8
Net Charge 0
Average Mass 648.922
Monoisotopic Mass 648.46012
InChI InChI=1S/C38H64O8/c1-3-5-7-8-9-10-11-12-13-14-19-23-29-37(43)45-32-34(31-39)46-38(44)30-24-28-36(42)35(41)27-22-18-16-15-17-21-26-33(40)25-20-6-4-2/h6,15-18,20-22,26-27,33-36,39-42H,3-5,7-14,19,23-25,28-32H2,1-2H3/b17-15+,18-16-,20-6-,26-21+,27-22-/t33-,34-,35+,36+/m0/s1
InChIKey WPIMNCQFVXZGPM-KGBXPJSASA-N
SMILES O(C(=O)CCCCCCCCCCCCCC)C[C@@H](OC(=O)CCC[C@@H](O)[C@H](O)\C=C/C=C\C=C\C=C\[C@@H](O)C/C=C\CC)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing DG(15:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) (CHEBI:230398) is a icosanoid (CHEBI:23899)
IUPAC Name
[(2S)-1-hydroxy-3-pentadecanoyloxypropan-2-yl] (5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
Manual Xrefs Databases
117214534 ChemSpider
HMDB0295331 HMDB
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