CHEBI:196693 - DG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)

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ChEBI Name DG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)
ChEBI ID CHEBI:196693
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C41H66O5
Net Charge 0
Average Mass 638.974
Monoisotopic Mass 638.49103
InChI InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27,39,42H,3-5,7,9-10,15-16,20,23,26,28-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-/m0/s1
InChIKey RRMWQDBJZKKUGJ-HZNABPJSSA-N
SMILES O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via diglyceride )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via diglyceride )
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ChEBI Ontology
Outgoing DG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0) (CHEBI:196693) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name
[(2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual Xrefs Databases
24766080 ChemSpider
HMDB0007343 HMDB
LMGL02010511 LIPID MAPS
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