2-Aminoethyl dihydrogen phosphate

Details

• Internal ID: 31525632-a93a-4b05-ba96-24dddbc1047a
• Taxonomy: Organic acids and derivatives > Organic phosphoric acids and derivatives > Phosphate esters > Phosphoethanolamines
• IUPAC Name: 2-aminoethyl dihydrogen phosphate
• SMILES (Canonical): C(COP(=O)(O)O)N
• SMILES (Isomeric): C(COP(=O)(O)O)N
• InChI: InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
• InChI Key: SUHOOTKUPISOBE-UHFFFAOYSA-N
• Popularity: 2,807 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂H₈NO₄P
• Molecular Weight: 141.06 g/mol
• Exact Mass: 141.01909473 g/mol
• Topological Polar Surface Area (TPSA): 92.80 Ų
• XlogP: -4.80

Synonyms

• 2-Aminoethyl dihydrogen phosphate
• 1071-23-4
• O-Phosphoethanolamine
• Phosphorylethanolamine
• phosphoethanolamine
• Colamine phosphate
• ethanolamine phosphate
• Ethanolamine O-phosphate
• Phosphonoethanolamine
• Phosphorylcolamine
• Mono(2-aminoethyl) phosphate
• COLAMINE PHOSPHORIC ACID
• Colaminphosphoric acid
• (2-aminoethoxy)phosphonic acid
• monoaminoethyl phosphate
• 2-amino-ethanol phosphate
• Ethanolamine acid phosphate
• Ethanol, 2-amino-, dihydrogen phosphate (ester)
• phosphoryl-ethanolamine
• 2-amino-ethanol dihydrogen phosphate
• 78A2BX7AEU
• NSC-254167
• phosphoric acid 2-aminoethyl phenyl ester
• O-phosphonatoethanaminium
• DTXSID5061453
• CHEBI:17553
• CHEBI:36711
• 2-azaniumylethyl hydrogen phosphate
• RefChem:863001
• DTXCID9033054
• 213-988-5
• 2-ammonioethyl phosphate
• 2-azaniumylethyl phosphate
• O-Phosphocolamine
• Phosphoryethanolamine
• Ethanol, 2-amino-, phosphate
• Colaminephosphoric acid
• MFCD00008178
• 2-AMINOETHYL PHOSPHATE
• NSC 254167
• Phosphoric acid, 2-aminoethyl phenyl ester
• OPE
• 2-Aminoethanol O-phosphate
• PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER
• CHEMBL146972
• EAP
• Ethanol, 2-amino-, 1-(dihydrogen phosphate)
• EINECS 213-988-5
• UNII-78A2BX7AEU
• Ethamp
• COLAMINE ACID PHOSPHATE
• Ethanol, phosphate
• Ethanolaminephosphate
• WLN: Z2OPQQO
• bmse000308
• Epitope ID:123890
• 2-aminoethoxyphosphonic acid
• SCHEMBL44347
• P0503_SIGMA
• orb1302484
• orb3141442
• SCHEMBL3720783
• HY-N5034R
• Phosphorylethanolamine (Standard)
• SUHOOTKUPISOBE-UHFFFAOYSA-
• 2-amino-ethyl dihydrogen phosphate
• PHOSPHORYLCOLAMINE [WHO-DD]
• HY-N5034
• STR04672
• BDBM50281572
• GEO-00129
• NSC254167
• s6483
• Ethanol, dihydrogen phosphate (ester)
• ethyl dihydrogen phosphate, 2-amino-
• AKOS005256383
• DB01738
• EBC-615941
• MSK005020-100W
• 2-Aminoethanol dihydrogen phosphate ester
• Ethanol, 2-amino-, dihydrogen phosphate
• MSK005020-1000W
• SY050551
• O-Phosphorylethanolamine, >=99.0% (T)
• DB-020522
• 2-amino-Ethanol dihydrogen phosphate (ester)
• CS-0032139
• NS00015228
• P0279
• ST51037393
• C00346
• P50005
• 2-aminoethyl dihydrogen phosphate (ACD/Name 4.0)
• F010650
• Q418826
• 1F5AAF69-FFC1-4188-A7C4-42B1BBDBA7BB
• J-660034
• O-Phosphorylethanolamine Solution in Water, 100ug/mL
• O-Phosphorylethanolamine Solution in Water, 1000ug/mL
• Monoaminoethyl phosphate;NSC 254167;O-Phosphoethanolamine
• O-Phosphorylethanolamine, certified reference material, TraceCERT(R)
• InChI=1/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	98.22%	94.01%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	95.19%	97.29%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.77%	96.09%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	88.31%	91.71%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	82.40%	80.78%

Plants that contains it

• Arabidopsis thaliana
• Pinus halepensis
• Prunus domestica

Cross-Links

• PubChem: 1015
• LOTUS: LTS0211206
• wikiData: Q418826