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CHEBI:185170 - ({[(2R)-2,3-bis[(15-methylhexadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)({[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid

ChEBI IDCHEBI:185170
ChEBI Name({[(2R)-2,3-bis[(15-methylhexadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)({[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H85N3O15P2
Net Charge0
Average Mass982.140
Monoisotopic Mass981.54559
SMILESCC(C)CCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C46H85N3O15P2/c1-36(2)27-23-19-15-11-7-5-9-13-17-21-25-29-41(50)59-33-38(62-42(51)30-26-22-18-14-10-6-8-12-16-20-24-28-37(3)4)34-60-65(55,56)64-66(57,58)61-35-39-43(52)44(53)45(63-39)49-32-31-40(47)48-46(49)54/h31-32,36-39,43-45,52-53H,5-30,33-35H2,1-4H3,(H,55,56)(H,57,58)(H2,47,48,54)/t38-,39-,43+,44?,45-/m1/s1
InChIKeyKGYCOYBEKKYNOG-IOYUWRPMSA-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)
({[(2R)-2,3-bis[(15-methylhexadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)({[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid (CHEBI:185170) 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-(15-methylhexadecanoyloxy)propyl] 15-methylhexadecanoate
Manual XrefsDatabases
74877965ChemSpider
HMDB0116252HMDB