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CHEBI:189964 - CDP-DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))

ChEBI IDCHEBI:189964
ChEBI NameCDP-DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H85N3O15P2
Net Charge0
Average Mass1078.228
Monoisotopic Mass1077.54559
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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\C/C=C\CCCCC
InChIInChI=1S/C54H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-49(58)67-43-46(70-50(59)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2)44-68-73(63,64)72-74(65,66)69-45-47-51(60)52(61)53(71-47)57-42-41-48(55)56-54(57)62/h5,7,11-14,17-20,22,24,27,29,33,35,41-42,46-47,51-53,60-61H,3-4,6,8-10,15-16,21,23,25-26,28,30-32,34,36-40,43-45H2,1-2H3,(H,63,64)(H,65,66)(H2,55,56,62)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-,35-33-/t46-,47-,51+,52?,53-/m1/s1
InChIKeyQBMINZFBMMQRLD-SEZWLSAZSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) (CHEBI:189964) 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-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0116036HMDB
74877774ChemSpider