Record Information
Version1.0
Creation date2011-09-21 00:18:02 UTC
Update date2020-09-17 15:41:35 UTC
Primary IDFDB022691
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCDP-Ethanolamine
DescriptionCDP-ethanolamine belongs to the class of organic compounds known as cdp-ethanolamines. These are phosphoethanolamines that consist of an ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen. CDP-ethanolamine is a very strong basic compound (based on its pKa). CDP-ethanolamine exists in all living species, ranging from bacteria to humans. Outside of the human body, CDP-ethanolamine has been detected, but not quantified in, several different foods, such as japanese chestnuts, green beans, hard wheats, fireweeds, and pecan nuts. This could make CDP-ethanolamine a potential biomarker for the consumption of these foods. A phosphoethanolamine consisting of ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen.
CAS Number3036-18-8
Structure
Thumb
Synonyms
SynonymSource
CDP EthanolamineChEBI
Cytidine 5'-(trihydrogen diphosphate), p'-(2-aminoethyl) esterChEBI
Cytidine diphosphate ethanolamineChEBI
Cytidine 5'-(trihydrogen diphosphoric acid), p'-(2-aminoethyl) esterGenerator
Cytidine diphosphoric acid ethanolamineGenerator
CDPethanolamineHMDB
CDP Ethanolamine, p'-(32)P-labeledMeSH, HMDB
CDP-ethanolamineHMDB
Cytidine 5'-diphosphate ethanolamineHMDB
Cytidine 5'-diphosphoethanolamineHMDB
Cytidine 5’-diphosphate ethanolamineHMDB
Cytidine 5’-diphosphoethanolamineHMDB
Cytidine diphosphoethanolamineHMDB
cdp ethanolaminehmdb
Cytidine 5'-(trihydrogen diate), p'-(2-aminoethyl) esterChEBI
Cytidine 5'-(trihydrogen diic acid), p'-(2-aminoethyl) esterGenerator
Cytidine diate ethanolamineChEBI
Cytidine diic acid ethanolamineGenerator
cytidine diphosphate ethanolaminehmdb
Predicted PropertiesNot Available
Chemical FormulaC11H20N4O11P2
IUPAC name
InChI IdentifierInChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1
InChI KeyWVIMUEUQJFPNDK-PEBGCTIMSA-N
Isomeric SMILESNCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O
Average Molecular Weight446.2442
Monoisotopic Molecular Weight446.060380526
Classification
Description Belongs to the class of organic compounds known as cdp-ethanolamines. These are phosphoethanolamines that consist of an ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine ribonucleotides
Direct ParentCDP-ethanolamines
Alternative Parents
Substituents
  • Cdp-ethanolamine
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Phosphoethanolamine
  • Hydroxypyrimidine
  • Monoalkyl phosphate
  • Hydropyrimidine
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Tetrahydrofuran
  • Heteroaromatic compound
  • 1,2-diol
  • Secondary alcohol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Primary amine
  • Organic oxide
  • Amine
  • Alcohol
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID110296
ChEMBL IDNot Available
KEGG Compound IDC00570
Pubchem Compound ID123727
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01564
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID35382
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
Ethanolamine-phosphate cytidylyltransferasePCYT2Q99447
Pathways
NameSMPDB LinkKEGG Link
Plasmalogen SynthesisSMP00479 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference