CHEBI:178995 - DG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)

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ChEBI Name DG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
ChEBI ID CHEBI:178995
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H74O5
Net Charge 0
Average Mass 695.082
Monoisotopic Mass 694.55363
InChI InChI=1S/C45H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,32,34,43,46H,3-5,7,9-10,15-16,21-25,27,29-31,33,35-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1
InChIKey WBIRVCRBSRMBFT-QLPWDAOLSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCC/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 )
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ChEBI Ontology
Outgoing DG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) (CHEBI:178995) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name
[(2S)-3-hydroxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
24766333 ChemSpider
HMDB0007665 HMDB
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