CHEBI:185406 - DG(22:1(13Z)/22:2(13Z,16Z)/0:0)[iso2]

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ChEBI Name DG(22:1(13Z)/22:2(13Z,16Z)/0:0)[iso2]
ChEBI ID CHEBI:185406
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H86O5
Net Charge 0
Average Mass 731.200
Monoisotopic Mass 730.64753
InChI InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,45,48H,3-11,13,15-16,21-44H2,1-2H3/b14-12-,19-17-,20-18-/t45-/m0/s1
InChIKey FYQVTZZMQMJNHB-DDYXGRGRSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)CO
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] 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 )
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ChEBI Ontology
Outgoing DG(22:1(13Z)/22:2(13Z,16Z)/0:0)[iso2] (CHEBI:185406) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name
[(2S)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-hydroxypropyl] (Z)-docos-13-enoate
Manual Xrefs Databases
7822898 ChemSpider
HMDB0007639 HMDB
LMGL02010283 LIPID MAPS
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