Molecule

(2-Aminoethyl)phosphonic acid

AlkaPlorer ID: AK001029

Synonym: Ciliatine, AEP

IUPAC Name: 2-aminoethylphosphonic acid

Structure

SMILES: NCCP(=O)(O)O

InChI: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)

InChIKey: QQVDJLLNRSOCEL-UHFFFAOYSA-N

Reference

A community-driven global reconstruction of human metabolism

PubChem CID: 5245507

CAS: 2041-14-7

LOTUS: LTS0013798

SuperNatural Ⅲ: SN0312710

NPASS: NPC258912

COCONUT: CNP0284279

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Euphausia superba	Euphausia	Euphausiidae	Euphausiacea	Malacostraca	Arthropoda	Metazoa	Eukaryota
Tetrahymena pyriformis	Tetrahymena	Tetrahymenidae	Hymenostomatida	Oligohymenophorea	Ciliophora	None	Eukaryota

Properties Information

Molecule Weight: 125.06399999999996

TPSA？: 83.55000000000001

MolLogP？: -0.8772000000000002

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	786-0	GI50	100000.0	nM	None
Homo sapiens	A498	GI50	100000.0	nM	None
Homo sapiens	A549	GI50	100000.0	nM	None
Homo sapiens	ACHN	GI50	100000.0	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	3981.1	nM	None
Homo sapiens	BT-549	GI50	100000.0	nM	None
Homo sapiens	CAKI-1	GI50	100000.0	nM	None
Homo sapiens	CCRF-CEM	GI50	100000.0	nM	None
Homo sapiens	COLO 205	GI50	100000.0	nM	None
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	DU-145	GI50	100000.0	nM	None
Homo sapiens	EKVX	GI50	100000.0	nM	None
Homo sapiens	HCC 2998	GI50	100000.0	nM	None
Homo sapiens	HCT-116	GI50	100000.0	nM	None
Homo sapiens	HCT-15	GI50	100000.0	nM	None
Homo sapiens	HL-60	GI50	100000.0	nM	None
Homo sapiens	HOP-62	GI50	100000.0	nM	None
Homo sapiens	HOP-92	GI50	100000.0	nM	None
Homo sapiens	Hs-578T	GI50	100000.0	nM	None
Homo sapiens	HT-29	GI50	100000.0	nM	None
Homo sapiens	IGROV-1	GI50	100000.0	nM	None
Homo sapiens	K562	GI50	100000.0	nM	None
Homo sapiens	KM12	GI50	100000.0	nM	None
Homo sapiens	LOX IMVI	GI50	100000.0	nM	None
Homo sapiens	M14	GI50	100000.0	nM	None
Homo sapiens	Malme-3M	GI50	100000.0	nM	None
Homo sapiens	MCF7	GI50	100000.0	nM	None
Homo sapiens	MDA-MB-231	GI50	100000.0	nM	None
Homo sapiens	MDA-MB-435	GI50	100000.0	nM	None
Homo sapiens	MDA-N	GI50	100000.0	nM	None
Homo sapiens	MOLT-4	GI50	100000.0	nM	None
Homo sapiens	NCI/ADR-RES	GI50	100000.0	nM	None
Homo sapiens	NCI-H226	GI50	100000.0	nM	None
Homo sapiens	NCI-H23	GI50	100000.0	nM	None
Homo sapiens	NCI-H322M	GI50	100000.0	nM	None
Homo sapiens	NCI-H460	GI50	100000.0	nM	None
Homo sapiens	NCI-H522	GI50	100000.0	nM	None
Homo sapiens	OVCAR-3	GI50	100000.0	nM	None
Homo sapiens	OVCAR-4	GI50	100000.0	nM	None
Homo sapiens	OVCAR-5	GI50	100000.0	nM	None
Homo sapiens	OVCAR-8	GI50	100000.0	nM	None
Homo sapiens	PC-3	GI50	100000.0	nM	None
Homo sapiens	RPMI-8226	GI50	100000.0	nM	None
Homo sapiens	RXF 393	GI50	100000.0	nM	None
Homo sapiens	SF-268	GI50	100000.0	nM	None
Homo sapiens	SF-295	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-2	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-28	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-5	GI50	100000.0	nM	None
Homo sapiens	SK-OV-3	GI50	100000.0	nM	None
Homo sapiens	SN12C	GI50	100000.0	nM	None
Homo sapiens	SNB-19	GI50	100000.0	nM	None
Homo sapiens	SNB-75	GI50	100000.0	nM	None
Homo sapiens	SR	GI50	100000.0	nM	None
Homo sapiens	SW-620	GI50	100000.0	nM	None
Homo sapiens	T47D	GI50	100000.0	nM	None
Homo sapiens	TK-10	GI50	100000.0	nM	None
Homo sapiens	U-251	GI50	100000.0	nM	None
Homo sapiens	UACC-257	GI50	100000.0	nM	None
Homo sapiens	UACC-62	GI50	100000.0	nM	None
Homo sapiens	UO-31	GI50	100000.0	nM	None

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002094	CC(=O)C(=O)O.NCCP(=O)(O)O>>C[C@H](N)C(=O)O.O=CCP(=O)(O)O	None
AKRT004640	CC(=O)[CoA].NCCP(=O)(O)O>>CC(=O)NCCP(=O)(O)O	R11479
AKRT009284	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CP(=O)(O)O>>NCCP(=O)(O)O	enzymemap_82641
AKRT017092	NC(=O)NCCP(=O)(O)O>>NCCP(=O)(O)O	enzymemap_77687
AKRT018315	NCCP(=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>>NCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	RXN-21313
AKRT018316	NCCP(=O)(O)O.O=C=O>>NC(CP(=O)(O)O)C(=O)O	MNXR134423
AKRT018317	NCCP(=O)(O)O>>NCC(O)P(=O)(O)O	R10724
AKRT018318	NCCP(=O)(O)O>>NC[C@H](O)P(=O)(O)O	RXN-15311
AKRT018319	NCCP(=O)(O)O>>O=CCP(=O)(O)O	R04152
AKRT023684	O=CCP(=O)(O)O>>NCCP(=O)(O)O	2.6.1.37-RXN