Showing metabocard for CDP-DG(16:1(9Z)/10:0(3-OH)) (MMDBc0056440)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-07-07 21:48:41 UTC
Update Date2022-08-14 02:45:01 UTC
MiMeDB IDMMDBc0056440
Metabolite Identification
Common NameCDP-DG(16:1(9Z)/10:0(3-OH))
DescriptionCDP-DG(16:1(9Z)/10:0(3-OH)) 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(16:1(9Z)/10:0(3-OH)), in particular, consists of one 9Z-hexadecenoyl chain at the C-1 position and one 3-hydroxydecanoyl 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(16:1(9Z)/10:0(3-OH)) is also a substrate of CDP-diacylglycerol pyrophosphatase. It is involved in CDP-diacylglycerol degradation pathway.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76c818070>

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3D MOL for #<Metabolite:0x000055b76c818070>

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3D SDF for #<Metabolite:0x000055b76c818070>

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3D-SDF for #<Metabolite:0x000055b76c818070>

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PDB for #<Metabolite:0x000055b76c818070>

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3D PDB for #<Metabolite:0x000055b76c818070>

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SMILES for #<Metabolite:0x000055b76c818070>

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INCHI for #<Metabolite:0x000055b76c818070>

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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)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(3-hydroxydecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)phosphinateGenerator
Chemical FormulaC38H67N3O16P2
Average Molecular Weight883.907
Monoisotopic Molecular Weight883.399657085
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C38H67N3O16P2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-33(43)52-26-30(55-34(44)25-29(42)21-19-17-8-6-4-2)27-53-58(48,49)57-59(50,51)54-28-31-35(45)36(46)37(56-31)41-24-23-32(39)40-38(41)47/h11-12,23-24,29-31,35-37,42,45-46H,3-10,13-22,25-28H2,1-2H3,(H,48,49)(H,50,51)(H2,39,40,47)/b12-11-/t29?,30-,31-,35+,36?,37-/m1/s1
InChI KeySQIUZAYATVYBON-QZRDLCRVSA-N