CHEBI:178282 - DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0)

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ChEBI Name DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0)
ChEBI ID CHEBI:178282
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H64O5
Net Charge 0
Average Mass 612.936
Monoisotopic Mass 612.47538
InChI InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,37,40H,3-4,6,8-9,14-15,18,21,23,25-36H2,1-2H3/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-/t37-/m0/s1
InChIKey XJELJGCMEUSYKS-ABHQEDCTSA-N
SMILES O(C(=O)CCCCCCC/C=C\CCCC)[C@H](COC(=O)CCCCC/C=C\C/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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0) (CHEBI:178282) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name
[(2S)-3-hydroxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual Xrefs Databases
24766395 ChemSpider
HMDB0007734 HMDB
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