EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180871 - CDP-DG(18:2(9Z,11Z)/i-12:0)

ChEBI IDCHEBI:180871
ChEBI NameCDP-DG(18:2(9Z,11Z)/i-12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H73N3O15P2
Net Charge0
Average Mass922.000
Monoisotopic Mass921.45169
SMILESCCCCCC/C=C\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)[C@H]1O)OC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C42H73N3O15P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-37(46)55-30-34(58-38(47)27-24-21-18-17-19-22-25-33(2)3)31-56-61(51,52)60-62(53,54)57-32-35-39(48)40(49)41(59-35)45-29-28-36(43)44-42(45)50/h9-12,28-29,33-35,39-41,48-49H,4-8,13-27,30-32H2,1-3H3,(H,51,52)(H,53,54)(H2,43,44,50)/b10-9-,12-11-/t34-,35-,39+,40?,41-/m1/s1
InChIKeyAGPRHJMUWDCGEI-JEZDYYCXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
CDP-DG(18:2(9Z,11Z)/i-12:0) (CHEBI:180871) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(10-methylundecanoyloxy)propyl] (9Z,11Z)-octadeca-9,11-dienoate
Manual XrefsDatabases
HMDB0116052HMDB
74877789ChemSpider