CHEBI:188135 - DG(21:0/22:2(13Z,16Z)/0:0)[iso2]

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ChEBI Name DG(21:0/22:2(13Z,16Z)/0:0)[iso2]
ChEBI ID CHEBI:188135
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H86O5
Net Charge 0
Average Mass 719.189
Monoisotopic Mass 718.64753
InChI InChI=1S/C46H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44(42-47)43-50-45(48)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,44,47H,3-10,12,14-16,18,20-43H2,1-2H3/b13-11-,19-17-/t44-/m0/s1
InChIKey HIYYWAKMPNHRBN-KUNHTXCWSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
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(21:0/22:2(13Z,16Z)/0:0)[iso2] (CHEBI:188135) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name
[(2S)-1-henicosanoyloxy-3-hydroxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
7822888 ChemSpider
LMGL02010273 LIPID MAPS
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