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Phosphorylethanolamine

CAT: 1596-AR-P29820-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P29820-01Size:10 Units
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CAS Number
1071-23-4
Synonyms
2-Aminoethanol 1- (Dihydrogen Phosphate) ; 2-Aminoethanol Dihydrogen Phosphate Ester
Molecular Formula
C2H8NO4P
Molecular Weight
141.06
API Name
Phosphoric acid

Chemical Information

Phosphoethanolamine

O-phosphoethanolamine is the ethanolamine mono-ester of phosphoric acid, and a metabolite of phospholipid metabolism. This phosphomonoester shows strong structural similarity to the inhibitory neurotransmitter GABA, and is decreased in post-mortem Alzheimer's disease brain. It has a role as a mouse metabolite, a human metabolite and an algal metabolite. It is a phosphoethanolamine and a primary amino compound. It is a conjugate acid of an O-phosphonatoethanaminium(1-).

CAS Number1071-23-4
PubChem CID1015
IUPAC Name2-aminoethyl dihydrogen phosphate
Molecular FormulaC2H8NO4P
Molecular Weight141.06
XLogP-4.8
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity98
SMILES
C(COP(=O)(O)O)N
InChI
InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey
SUHOOTKUPISOBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphoethanolamine
CAS: 1071-23-4
CID: 1015
Formula: C2H8NO4P
MW: 141.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.06
XLogP3-4.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass141.01909473
Monoisotopic Mass141.01909473
Topological Polar Surface Area92.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity98.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T4881Phosphorylethanolamine
TRC-P360902-1MGPhosphorylethanolamine-d4
MBS3609531-01O-Phosphorylethanolamine
sc-281522ACholesteryl-phosphorylethanolamine
sc-300332Ceramide phosphorylethanolamine
HY-N5034R-01Phosphorylethanolamine (Standard)

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