1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:34046)

CHEBI:34046 - 1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate

ChEBI ID	CHEBI:34046
ChEBI Name	1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate
Stars
ASCII Name	1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate
Definition	A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as dodecanoyl.
Last Modified	5 April 2016
Downloads	Molfile

Formula	C36H65N3O15P2
Net Charge	0
Average Mass	841.870
Monoisotopic Mass	841.38909
SMILES	CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCC
InChI	InChI=1S/C36H65N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-31(40)49-25-28(52-32(41)22-20-18-16-14-12-10-8-6-4-2)26-50-55(45,46)54-56(47,48)51-27-29-33(42)34(43)35(53-29)39-24-23-30(37)38-36(39)44/h23-24,28-29,33-35,42-43H,3-22,25-27H2,1-2H3,(H,45,46)(H,47,48)(H2,37,38,44)/t28-,29-,33-,34-,35-/m1/s1
InChIKey	PTPPKXVNJJIECF-LSSKPTOFSA-N

Species of Metabolite	Component	Source	Comments
Mycoplasma genitalium (ncbitaxon:2097)	-	PubMed (22817898)

Roles Classification

Mycoplasma genitalium metabolite Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.

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)
	1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:34046) has functional parent dodecanoic acid (CHEBI:30805)
	1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:34046) has role Mycoplasma genitalium metabolite (CHEBI:131604)
	1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:34046) is a CDP-diacylglycerol (CHEBI:17962)

IUPAC Name
5'-O-[({[(2R)-2,3-bis(dodecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine

Synonyms	Source
1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate	KEGG COMPOUND
CDP-DG(12:0/12:0)	LIPID MAPS
CDP-1,2-didodecanoyl-sn-glycerol	ChEBI
CDP-1,2-dilauroyl-sn-glycerol	ChEBI
1,2-dilauroyl-sn-glycero-3-cytidine 5'-diphosphate	ChEBI
CDP-1,2-dilauroylglycerol	ChEBI

Manual Xrefs	Databases
C13891	KEGG COMPOUND
LMGP13010001	LIPID MAPS

Citations