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CHEBI:230119 - CDP-DG(18:2(9Z,11Z)/20:3(8Z,11Z,14Z)-2OH(5,6))

Default Structure
ChEBI IDCHEBI:230119
ChEBI NameCDP-DG(18:2(9Z,11Z)/20:3(8Z,11Z,14Z)-2OH(5,6))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H83N3O17P2
Net Charge0
Average Mass1060.166
Monoisotopic Mass1059.51977
SMILESCCCCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C=C/CCCCCC)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C50H83N3O17P2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-33-45(56)65-37-40(68-46(57)34-30-32-42(55)41(54)31-28-26-24-22-20-16-14-12-10-8-6-4-2)38-66-71(61,62)70-72(63,64)67-39-43-47(58)48(59)49(69-43)53-36-35-44(51)52-50(53)60/h12-15,17-18,20,22,26,28,35-36,40-43,47-49,54-55,58-59H,3-11,16,19,21,23-25,27,29-34,37-39H2,1-2H3,(H,61,62)(H,63,64)(H2,51,52,60)/b14-12-,15-13-,18-17-,22-20-,28-26-/t40-,41?,42?,43-,47-,48-,49-/m1/s1
InChIKeyBELRQFXIYSNGBS-XECBBJSJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
CDP-DG(18:2(9Z,11Z)/20:3(8Z,11Z,14Z)-2OH(5,6)) (CHEBI:230119) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
[(2R)-1-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-[(9Z,11Z)-octadeca-9,11-dienoyl]oxypropan-2-yl] (8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoate
Manual XrefsDatabases
117210608ChemSpider
HMDB0291325HMDB