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CHEBI:184778 - CDP-DG(I-12:0/18:2(9Z,11Z))

ChEBI IDCHEBI:184778
ChEBI NameCDP-DG(I-12:0/18:2(9Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H73N3O15P2
Net Charge0
Average Mass922.000
Monoisotopic Mass921.45169
SMILESCCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)[C@H]1O
InChIInChI=1S/C42H73N3O15P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-38(47)58-34(30-55-37(46)26-23-20-18-17-19-22-25-33(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
InChIKeyGQUSMWCFIXCGAJ-JEZDYYCXSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
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(I-12:0/18:2(9Z,11Z)) (CHEBI:184778) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
[(2R)-1-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] (9Z,11Z)-octadeca-9,11-dienoate
Manual XrefsDatabases
74877864ChemSpider
HMDB0116151HMDB