Showing metabocard for CDP-DG(i-19:0/17:0cycw7) (MMDBc0056465)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-07-07 21:49:41 UTC
Update Date2022-08-14 02:47:22 UTC
MiMeDB IDMMDBc0056465
Metabolite Identification
Common NameCDP-DG(i-19:0/17:0cycw7)
DescriptionCDP-DG(i-19:0/17:0cycw7) is a cytidine diphosphate diacylglycerol or CDP-diacylglycerol. It is a glycerophospholipid in which a cytidine diphosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, CDP-diacylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. CDP-DG(i-19:0/17:0cycw7), in particular, consists of one 17-methyloctadecanoyl chain at the C-1 position and one heptadec-9-10-cyclo-anoyl chain at the C-2 position. In E. coli glycerophospholipid metabolism, the biosynthesis of CDP-diacylglycerol (CDP-DG) involves condensation of phosphatidic acid (PA) and cytidine triphosphate, with elimination of pyrophosphate, catalysed by the enzyme CDP-diacylglycerol synthase. The resulting CDP-diacylglycerol can be utilized immediately for the synthesis of phosphatidylglycerol (PG), and thence cardiolipin (CL), and of phosphatidylinositol (PI). CDP-DG(i-19:0/17:0cycw7) is also a substrate of CDP-diacylglycerol pyrophosphatase. It is involved in CDP-diacylglycerol degradation pathway.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76e215298>

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3D MOL for #<Metabolite:0x000055b76e215298>

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3D SDF for #<Metabolite:0x000055b76e215298>

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3D-SDF for #<Metabolite:0x000055b76e215298>

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PDB for #<Metabolite:0x000055b76e215298>

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3D PDB for #<Metabolite:0x000055b76e215298>

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SMILES for #<Metabolite:0x000055b76e215298>

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INCHI for #<Metabolite:0x000055b76e215298>

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Synonyms
ValueSource
{[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[(2R)-2-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-3-[(17-methyloctadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)phosphinateGenerator
Chemical FormulaC48H87N3O15P2
Average Molecular Weight1008.178
Monoisotopic Molecular Weight1007.561243109
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C48H87N3O15P2/c1-4-5-6-22-27-38-33-39(38)28-23-18-16-20-25-30-44(53)64-40(34-61-43(52)29-24-19-15-13-11-9-7-8-10-12-14-17-21-26-37(2)3)35-62-67(57,58)66-68(59,60)63-36-41-45(54)46(55)47(65-41)51-32-31-42(49)50-48(51)56/h31-32,37-41,45-47,54-55H,4-30,33-36H2,1-3H3,(H,57,58)(H,59,60)(H2,49,50,56)/t38?,39?,40-,41-,45+,46?,47-/m1/s1
InChI KeyMJHWRZDNGSWLJJ-KJYZJUBTSA-N