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CHEBI:184658 - CDP-DG(A-13:0/18:2(9Z,11Z))

Default Structure
ChEBI IDCHEBI:184658
ChEBI NameCDP-DG(A-13:0/18:2(9Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H75N3O15P2
Net Charge0
Average Mass936.027
Monoisotopic Mass935.46734
SMILESCCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)[C@H]1O
InChIInChI=1S/C43H75N3O15P2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-39(48)59-35(31-56-38(47)27-24-21-19-18-20-23-26-34(3)5-2)32-57-62(52,53)61-63(54,55)58-33-36-40(49)41(50)42(60-36)46-30-29-37(44)45-43(46)51/h10-13,29-30,34-36,40-42,49-50H,4-9,14-28,31-33H2,1-3H3,(H,52,53)(H,54,55)(H2,44,45,51)/b11-10-,13-12-/t34?,35-,36-,40+,41?,42-/m1/s1
InChIKeyDPOTYNYZXRUHQX-DQWMSTGESA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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(A-13:0/18:2(9Z,11Z)) (CHEBI:184658) 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-methyldodecanoyloxy)propan-2-yl] (9Z,11Z)-octadeca-9,11-dienoate
Manual XrefsDatabases
74877782ChemSpider
HMDB0116045HMDB