Molecule

2-Aminoethyl dihydrogen phosphate

AlkaPlorer ID: AK009712

Synonym: Ethanolamine O-phosphate, O-Phosphoethanolamine

IUPAC Name: 2-azaniumylethyl phosphate

Structure

SMILES: [NH3+]CCOP(=O)([O-])[O-]

InChI: InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)/p-1

InChIKey: SUHOOTKUPISOBE-UHFFFAOYSA-M

Reference

Plant-to-Plant Variability in Root Metabolite Profiles of 19 Arabidopsis thaliana Accessions Is Substance-Class-Dependent

PubChem CID: 7059434

CAS: 1071-23-4

LOTUS: LTS0211206

SuperNatural Ⅲ: SN0355527

NPASS: NPC326287

COCONUT: CNP0179004

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Trygonorrhina fasciata	Trygonorrhina	Rhinobatidae	Rhinopristiformes	Chondrichthyes	Chordata	Metazoa	Eukaryota
None	None	None	None	None	None	None	Bacteria
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Saccharomyces cerevisiae	Saccharomyces	Saccharomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 140.055

TPSA？: 100.06

MolLogP？: -2.9263999999999992

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Serum amyloid P-component	Inhibition	1.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	3.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	7.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	8.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	9.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	18.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	32.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	36.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	41.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	42.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	51.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	59.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	69.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	94.0	%	None
Homo sapiens	Serum amyloid P-component	Inhibition	95.0	%	None
Rattus norvegicus	GABA B receptor	IC50	100000.0	nM	10.1016/S0960-894X(01)81218-X

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT000010	*/C=C/OC[C@@H](O)COP(=O)(O)OCCN>>NCCOP(=O)(O)O	RXN-17738
AKRT000016	/C=C/OC[C@H](COP(=O)(O)OCCN)OC()=O>>NCCOP(=O)(O)O	RXN-17734
AKRT000024	/C=C\OCC(COP(=O)(O)OCCN)OC()=O>>NCCOP(=O)(O)O	R07381
AKRT000026	*/C=C\OC[C@@H](O)COP(=O)(O)OCCN>>NCCOP(=O)(O)O	R07380
AKRT000310	C(=O)OCC(COP(=O)(O)OCCN)OC()=O>>NCCOP(=O)(O)O	R02052
AKRT001027	*[C@@H](O)[C@@H](N)COP(=O)(O)O>>NCCOP(=O)(O)O	RXN-11377
AKRT005513	CC(C)CCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O>>NCCOP(=O)(O)O	34719
AKRT005517	CC(C)CCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O>>NCCOP(=O)(O)O	34743
AKRT006999	CC1=CC(C)=[N+]2C1=C(CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O)c1c(C)cc(C)n1[B-]2(F)F>>CC1=CC(C)=[N+]2C1=C(CCCCCCCCCCCCC/C=C/C=O)c1c(C)cc(C)n1[B-]2(F)F.NCCOP(=O)(O)O	None
AKRT007000	CC1=CC(C)=[N+]2C1=C(CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O)c1c(C)cc(C)n1[B-]2(F)F>>NCCOP(=O)(O)O	enzymemap_82646
AKRT007311	CCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O>>NCCOP(=O)(O)O	63964
AKRT007920	CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC>>NCCOP(=O)(O)O	enzymemap_57417
AKRT008255	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC>>NCCOP(=O)(O)O	enzymemap_57433
AKRT008677	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O>>CCCCCCCCCCCCC/C=C/C=O.NCCOP(=O)(O)O	None
AKRT008680	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O>>NCCOP(=O)(O)O	RXN3DJ-11230
AKRT008922	CCCCCCCCCCCCCCCC(=O)O.NCCOP(=O)(O)O>>CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O	MNXR104366
AKRT008981	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC.NCCOP(=O)(O)O>>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC	MNXR161044
AKRT008993	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC>>NCCOP(=O)(O)O	enzymemap_57411
AKRT009270	CCCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)COP(=O)(O)O>>NCCOP(=O)(O)O	33715
AKRT009281	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O>>CCCCCCCCCCCCCCCC=O.NCCOP(=O)(O)O	None
AKRT009283	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O>>NCCOP(=O)(O)O	SPHINGANINE-1-PHOSPHATE-ALDOLASE-RXN
AKRT009304	CCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O>>NCCOP(=O)(O)O	enzymemap_82640
AKRT009309	CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)COP(=O)(O)O>>NCCOP(=O)(O)O	RXN-13729
AKRT012645	C[33S].NCCOP(=O)(O)O>>CC(CN)OP(=O)(O)O	None
AKRT012646	C[33S].NCCOP(=O)(O)O>>CNCCOP(=O)(O)O	None
AKRT012853	C[C@@H](O)[C@@H](N)COP(=O)(O)O>>NCCOP(=O)(O)O	39999
AKRT012968	C[C@@H](O)[C@H](N)C(=O)OP(=O)(O)OCCN>>NCCOP(=O)(O)O	enzymemap_57296
AKRT014588	C[SAH].C[SAH].C[SAH].NCCOP(=O)(O)O>>C[N+](C)(C)CCOP(=O)(O)O	32291
AKRT014649	C[SAH].NCCOP(=O)(O)O>>CC(CN)OP(=O)(O)O	enzymemap_25709
AKRT014650	C[SAH].NCCOP(=O)(O)O>>CNCCOP(=O)(O)O	2.1.1.103-RXN
AKRT014651	C[SAH].NCCOP(=O)(O)O>>COP(=O)(O)OCCN	enzymemap_25713
AKRT018287	NCCO>>NCCOP(=O)(O)O	ETHANOLAMINE-KINASE-RXN
AKRT018291	NCCOP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1>>NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	MNXR131092
AKRT018292	NCCOP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1>>NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	2.7.7.14-RXN
AKRT018293	NCCOP(=O)(O)O.Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1>>NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O	enzymemap_48522
AKRT018294	NCCOP(=O)(O)O>>CC=O	R00748
AKRT018295	NCCOP(=O)(O)O>>NCCO	R06870
AKRT018296	NCCOP(=O)(O)OC(=O)[C@H](N)CO>>NCCOP(=O)(O)O	enzymemap_57295
AKRT018299	NCCOP(=O)(O)OC[C@@H](N)C(=O)O>>NCCOP(=O)(O)O	enzymemap_57295
AKRT018304	NCCOP(=O)(O)OC[C@H](N)C(=O)O>>NCCOP(=O)(O)O	R02817
AKRT018308	NCCOP(=O)(O)OC[C@H](O)CO>>NCCOP(=O)(O)O	enzymemap_57500
AKRT018309	NCCOP(=O)(O)OC[C@H](O)CO>>NCCOP(=O)(O)O.OCC(O)CO	None
AKRT018311	NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O>>NCCOP(=O)(O)O	enzymemap_49418
AKRT018312	NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O>>NCCOP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1	None
AKRT018313	NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O>>NCCOP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1	None
AKRT019532	N[C@@H](COP(=O)(O)O)C(=O)O>>NCCOP(=O)(O)O	69548
AKRT019539	N[C@@H](COP(=O)(O)O)[C@H](O)/C=C/CCCCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12>>NCCOP(=O)(O)O	enzymemap_82639
AKRT019540	N[C@@H](COP(=O)(O)O)[C@H](O)CCOc1ccc2ccc(=O)oc2c1>>NCCOP(=O)(O)O	enzymemap_82648
AKRT019541	N[C@@H](COP(=O)(O)O)[C@H](O)CCOc1ccc2ccc(=O)oc2c1>>NCCOP(=O)(O)O.O=CCCOc1ccc2ccc(=O)oc2c1	None