EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131832 - 1,2-di-[(11Z)-octadecenoyl]glycerol

ChEBI IDCHEBI:131832
ChEBI Name1,2-di-[(11Z)-octadecenoyl]glycerol
Stars
ASCII Name1,2-di-[(11Z)-octadecenoyl]glycerol
DefinitionA 1,2-diglyceride in which the acyl groups at positions 1 and 2 are specified as (11Z)-octadecenoyl.
Last Modified22 April 2016
SubmitterSteve
DownloadsMolfile
FormulaC39H72O5
Net Charge0
Average Mass621.000
Monoisotopic Mass620.53798
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37,40H,3-12,17-36H2,1-2H3/b15-13-,16-14-
InChIKeyJQTCHIYVEDEVBR-VMNXYWKNSA-N
Roles Classification
Biological Roles:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2-di-[(11Z)-octadecenoyl]glycerol (CHEBI:131832) has functional parent cis-vaccenic acid (CHEBI:50464)
1,2-di-[(11Z)-octadecenoyl]glycerol (CHEBI:131832) has role Mycoplasma genitalium metabolite (CHEBI:131604)
1,2-di-[(11Z)-octadecenoyl]glycerol (CHEBI:131832) is a 1,2-diglyceride (CHEBI:49172)
1,2-di-[(11Z)-octadecenoyl]glycerol (CHEBI:131832) is a diacylglycerol 36:2 (CHEBI:85701)
IUPAC Name 
3-hydroxypropane-1,2-diyl (11Z,11'Z)di-octadec-11-enoate
Synonyms  Source
DG(36:2)ChEBI
DG(18:1(11Z)/18:1(11Z)/0:0)ChEBI
1,2-di-[(11Z)-octadec-11-enoyl]glycerolChEBI
DG(18:1/18:1/0:0)ChEBI