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CHEBI:184675 - CDP-DG(I-22:0/I-13:0)

ChEBI IDCHEBI:184675
ChEBI NameCDP-DG(I-22:0/I-13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H87N3O15P2
Net Charge0
Average Mass996.167
Monoisotopic Mass995.56124
SMILESCC(C)CCCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCC(C)C
InChIInChI=1S/C47H87N3O15P2/c1-37(2)28-24-20-16-13-11-9-7-5-6-8-10-12-14-18-22-26-30-42(51)60-34-39(63-43(52)31-27-23-19-15-17-21-25-29-38(3)4)35-61-66(56,57)65-67(58,59)62-36-40-44(53)45(54)46(64-40)50-33-32-41(48)49-47(50)55/h32-33,37-40,44-46,53-54H,5-31,34-36H2,1-4H3,(H,56,57)(H,58,59)(H2,48,49,55)/t39-,40-,44+,45?,46-/m1/s1
InChIKeyYVQQUHBNFISPNE-ZTFDZGNXSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
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-22:0/I-13:0) (CHEBI:184675) 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-(11-methyldodecanoyloxy)propyl] 20-methylhenicosanoate
Manual XrefsDatabases
HMDB0116337HMDB
74878050ChemSpider