CHEBI:231045 - DG(13:0/20:5(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(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
ChEBI ID CHEBI:231045
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H60O8
Net Charge 0
Average Mass 620.868
Monoisotopic Mass 620.42882
InChI InChI=1S/C36H60O8/c1-3-5-7-8-9-10-11-12-17-21-27-35(41)43-30-32(29-37)44-36(42)28-22-26-34(40)33(39)25-20-16-14-13-15-19-24-31(38)23-18-6-4-2/h6,13-16,18-20,24-25,31-34,37-40H,3-5,7-12,17,21-23,26-30H2,1-2H3/b15-13+,16-14-,18-6-,24-19+,25-20-/t31-,32-,33+,34+/m0/s1
InChIKey VATCWZKGMKXQFN-WUNIAKKASA-N
SMILES O(C(=O)CCCCCCCCCCCC)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(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) (CHEBI:231045) is a icosanoid (CHEBI:23899)
IUPAC Name
[(2S)-1-hydroxy-3-tridecanoyloxypropan-2-yl] (5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
Manual Xrefs Databases
117214164 ChemSpider
HMDB0294961 HMDB
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