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CHEBI:189922 - CDP-DG(18:2(9Z,11Z)/a-15:0)

ChEBI IDCHEBI:189922
ChEBI NameCDP-DG(18:2(9Z,11Z)/a-15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H79N3O15P2
Net Charge0
Average Mass964.081
Monoisotopic Mass963.49864
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)CCCCCCCCCCC(C)CC
InChIInChI=1S/C45H79N3O15P2/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-40(49)58-33-37(61-41(50)30-27-24-21-18-17-19-22-25-28-36(3)5-2)34-59-64(54,55)63-65(56,57)60-35-38-42(51)43(52)44(62-38)48-32-31-39(46)47-45(48)53/h10-13,31-32,36-38,42-44,51-52H,4-9,14-30,33-35H2,1-3H3,(H,54,55)(H,56,57)(H2,46,47,53)/b11-10-,13-12-/t36?,37-,38-,42+,43?,44-/m1/s1
InChIKeyZIGIXHCOYNUPLH-LAVVVQILSA-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(18:2(9Z,11Z)/a-15:0) (CHEBI:189922) 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-(12-methyltetradecanoyloxy)propyl] (9Z,11Z)-octadeca-9,11-dienoate
Manual XrefsDatabases
HMDB0116048HMDB
74877785ChemSpider