{[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(14-methylpentadecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy]phosphoryl}oxy)phosphinic acid (CHEBI:184333)

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CHEBI:184333 - {[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(14-methylpentadecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy]phosphoryl}oxy)phosphinic acid

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ChEBI ID	CHEBI:184333
ChEBI Name	{[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(14-methylpentadecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy]phosphoryl}oxy)phosphinic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C46H81N3O15P2
Net Charge	0
Average Mass	978.108
Monoisotopic Mass	977.51429
SMILES	CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC(C)C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)[C@H]1O
InChI	InChI=1S/C46H81N3O15P2/c1-4-5-6-7-8-9-10-11-12-13-14-19-22-25-28-31-42(51)62-38(34-59-41(50)30-27-24-21-18-16-15-17-20-23-26-29-37(2)3)35-60-65(55,56)64-66(57,58)61-36-39-43(52)44(53)45(63-39)49-33-32-40(47)48-46(49)54/h9-12,32-33,37-39,43-45,52-53H,4-8,13-31,34-36H2,1-3H3,(H,55,56)(H,57,58)(H2,47,48,54)/b10-9-,12-11-/t38-,39-,43+,44?,45-/m1/s1
InChIKey	QAJXPUFSYJMJJJ-IINMTLQDSA-N

Species of Metabolite	Component	Source	Comments
Bos taurus (ncbitaxon:9913)
	spermatozoon (BTO:0001277)	MetaboLights (MTBLS1071)	Strain: Holstein-Friesian cattle [26105007]
	spermatozoon (FMA:67338)	MetaboLights (MTBLS1071)	Strain: Holstein-Friesian cattle [26105007]

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,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(14-methylpentadecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy]phosphoryl}oxy)phosphinic acid (CHEBI:184333) 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-(14-methylpentadecanoyloxy)propan-2-yl] (9Z,11Z)-octadeca-9,11-dienoate

Manual Xrefs	Databases
HMDB0116223	HMDB
74877936	ChemSpider