EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186971 - CDP-DG(i-12:0/i-17:0)

ChEBI IDCHEBI:186971
ChEBI NameCDP-DG(i-12:0/i-17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H75N3O15P2
Net Charge0
Average Mass912.005
Monoisotopic Mass911.46734
SMILESCC(C)CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)[C@H]1O
InChIInChI=1S/C41H75N3O15P2/c1-31(2)22-18-14-10-8-6-5-7-9-11-17-21-25-37(46)57-33(28-54-36(45)24-20-16-13-12-15-19-23-32(3)4)29-55-60(50,51)59-61(52,53)56-30-34-38(47)39(48)40(58-34)44-27-26-35(42)43-41(44)49/h26-27,31-34,38-40,47-48H,5-25,28-30H2,1-4H3,(H,50,51)(H,52,53)(H2,42,43,49)/t33-,34-,38+,39?,40-/m1/s1
InChIKeyDUCHHTZTSYWGSO-BGBHGZNASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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(i-12:0/i-17:0) (CHEBI:186971) 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-methylundecanoyloxy)propan-2-yl] 15-methylhexadecanoate
Manual XrefsDatabases
74877875ChemSpider
HMDB0116162HMDB