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Cytidine 5′-diphosphoethanolamine

CAT: 0931-T74442-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74442-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3036-18-8
Target
Others, Cholinesterase (ChE)
Related Pathways
Others, Neuroscience
Bioactivity
Cytidine 5′-diphosphoethanolamine, a key intermediate in phosphatidylethanolamine synthesis, also serves as a stimulant of Ach synthesis [1].
Smiles
NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O
Molecular Formula
C11H20N4O11P2
Molecular Weight
446.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CDP-Ethanolamine

CDP-ethanolamine is a phosphoethanolamine consisting of ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen. It has a role as a mouse metabolite. It is a member of nucleotide-(amino alcohol)s and a phosphoethanolamine. It is a conjugate acid of a CDP-ethanolamine(1-).

CAS Number3036-18-8
PubChem CID123727
IUPAC Name[2-aminoethoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular FormulaC11H20N4O11P2
Molecular Weight446.24
XLogP-7.2
Topological Polar Surface Area237
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity746
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCCN)O)O
InChI
InChI=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
InChIKey
WVIMUEUQJFPNDK-PEBGCTIMSA-N
Chemical Structure
2D Structure
2D structure of CDP-Ethanolamine
CAS: 3036-18-8
CID: 123727
Formula: C11H20N4O11P2
MW: 446.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.24
XLogP3-7.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass446.06038146
Monoisotopic Mass446.06038146
Topological Polar Surface Area237 Ų
Heavy Atom Count28
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19221238-01Cytidine 5′-diphosphoethanolamine
MBS5816402Cytidine 5'-diphosphoethanolamine
163270Cytidine-5',5''-d2
TRC-A285910-100MGAracytidylyl-(5'→5')-cytidine
sc-291083[5',5''-2H2]cytidine
BA4331-50005-Iodo-cytidine
HY-W5555515-Ethyl cytidine
HY-125818-01Cytidine-5'-triphosphate
RM-C205907-01Cytidine-5′-Triphosphate
TRC-F588875-25G5-Fluoro Cytidine

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