EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169890 - CDP-DG(i-12:0/i-14:0)

ChEBI IDCHEBI:169890
ChEBI NameCDP-DG(i-12:0/i-14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H69N3O15P2
Net Charge0
Average Mass869.924
Monoisotopic Mass869.42039
SMILESCC(C)CCCCCCCCCCC(=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/C38H69N3O15P2/c1-28(2)19-15-11-7-5-6-8-14-18-22-34(43)54-30(25-51-33(42)21-17-13-10-9-12-16-20-29(3)4)26-52-57(47,48)56-58(49,50)53-27-31-35(44)36(45)37(55-31)41-24-23-32(39)40-38(41)46/h23-24,28-31,35-37,44-45H,5-22,25-27H2,1-4H3,(H,47,48)(H,49,50)(H2,39,40,46)/t30-,31-,35+,36?,37-/m1/s1
InChIKeyZUYSMDUKUJKUBM-RBBNTGEOSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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-14:0) (CHEBI:169890) 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] 12-methyltridecanoate
Manual XrefsDatabases
HMDB0116159HMDB
74877872ChemSpider