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CHEBI:192156 - CDP-DG(a-13:0/i-12:0)

ChEBI IDCHEBI:192156
ChEBI NameCDP-DG(a-13:0/i-12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67N3O15P2
Net Charge0
Average Mass855.897
Monoisotopic Mass855.40474
SMILESCCC(C)CCCCCCCCC(=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/C37H67N3O15P2/c1-5-28(4)19-15-11-7-9-12-16-20-32(41)50-24-29(53-33(42)21-17-13-8-6-10-14-18-27(2)3)25-51-56(46,47)55-57(48,49)52-26-30-34(43)35(44)36(54-30)40-23-22-31(38)39-37(40)45/h22-23,27-30,34-36,43-44H,5-21,24-26H2,1-4H3,(H,46,47)(H,48,49)(H2,38,39,45)/t28?,29-,30-,34+,35?,36-/m1/s1
InChIKeyURXLTEPIZQRTAV-WXBMFJRSSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
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(a-13:0/i-12:0) (CHEBI:192156) 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] 10-methyldodecanoate
Manual XrefsDatabases
HMDB0116068HMDB
74877801ChemSpider