MiMeDB: Showing metabocard for CDP-DG(18:1(9Z)/10:0(3-OH)) (MMDBc0056448)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-07-07 21:48:56 UTC

Update Date

2022-08-14 02:45:49 UTC

Metabolite ID

MMDBc0056448

Metabolite Identification

Common Name

CDP-DG(18:1(9Z)/10:0(3-OH))

Description

CDP-DG(18:1(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(18:1(9Z)/10:0(3-OH)), in particular, consists of one 9Z-octadecenoyl 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(18:1(9Z)/10:0(3-OH)) is also a substrate of CDP-diacylglycerol pyrophosphatase. It is involved in CDP-diacylglycerol degradation pathway.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
{[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R)-2-[(3-hydroxydecanoyl)oxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)phosphinate	Generator

Molecular Formula

C₄₀H₇₁N₃O₁₆P₂

Average Mass

911.961

Monoisotopic Mass

911.430957214

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C40H71N3O16P2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-35(45)54-28-32(57-36(46)27-31(44)23-21-19-8-6-4-2)29-55-60(50,51)59-61(52,53)56-30-33-37(47)38(48)39(58-33)43-26-25-34(41)42-40(43)49/h13-14,25-26,31-33,37-39,44,47-48H,3-12,15-24,27-30H2,1-2H3,(H,50,51)(H,52,53)(H2,41,42,49)/b14-13-/t31?,32-,33-,37+,38?,39-/m1/s1

InChI Key

XXTFSNBLYYQSSA-MOUQHXDLSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for CDP-DG(18:1(9Z)/10:0(3-OH)) (MMDBc0056448)

MOL for #<Metabolite:0x00007f1240f8af08>

3D MOL for #<Metabolite:0x00007f1240f8af08>

3D SDF for #<Metabolite:0x00007f1240f8af08>

3D-SDF for #<Metabolite:0x00007f1240f8af08>

PDB for #<Metabolite:0x00007f1240f8af08>

3D PDB for #<Metabolite:0x00007f1240f8af08>

SMILES for #<Metabolite:0x00007f1240f8af08>

INCHI for #<Metabolite:0x00007f1240f8af08>

Structure for #<Metabolite:0x00007f1240f8af08>

3D Structure for #<Metabolite:0x00007f1240f8af08>