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CHEBI:187058 - CDP-DG(a-13:0/i-15:0)

ChEBI IDCHEBI:187058
ChEBI NameCDP-DG(a-13:0/i-15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H73N3O15P2
Net Charge0
Average Mass897.978
Monoisotopic Mass897.45169
SMILESCCC(C)CCCCCCCCC(=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)CCCCCCCCCCCC(C)C
InChIInChI=1S/C40H73N3O15P2/c1-5-31(4)22-18-14-11-12-15-19-23-35(44)53-27-32(56-36(45)24-20-16-10-8-6-7-9-13-17-21-30(2)3)28-54-59(49,50)58-60(51,52)55-29-33-37(46)38(47)39(57-33)43-26-25-34(41)42-40(43)48/h25-26,30-33,37-39,46-47H,5-24,27-29H2,1-4H3,(H,49,50)(H,51,52)(H2,41,42,48)/t31?,32-,33-,37+,38?,39-/m1/s1
InChIKeyAXFXMDBCEVKIHQ-FOFBOHEMSA-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(a-13:0/i-15:0) (CHEBI:187058) 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] 13-methyltetradecanoate
Manual XrefsDatabases
74877804ChemSpider
HMDB0116071HMDB