Molecule

Diaminopropanoic Acid

AlkaPlorer ID: AK060290

Synonym: None

IUPAC Name: (2S)-2,3-diaminopropanoic acid

Structure

SMILES: NC[C@H](N)C(=O)O

InChI: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1

InChIKey: PECYZEOJVXMISF-REOHCLBHSA-N

Reference

2-Amino-4N-ureidopropionic acid (albizzine) and its oxalyl derivative in hyphae of Coniophora puteana

PubChem CID: 97328

CAS: 1482-97-9

LOTUS: LTS0154706

SuperNatural Ⅲ: SN0282973-01

NPASS: NPC237525

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Trichosanthes cucumeroides	Trichosanthes	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 104.10899999999998

TPSA？: 89.34

MolLogP？: -1.6429999999999998

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	ADMET	Activity	81.0	%	10.1016/j.bmc.2009.02.018
None	Hairpin ribozyme RNA	K obs	0.045	None	10.1016/s0960-894x(01)00608-4
None	Hairpin ribozyme RNA	K obs	0.061	None	10.1016/s0960-894x(01)00608-4
None	NON-PROTEIN TARGET	Activity	67.0	%	10.1016/j.bmc.2009.02.018

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT014662	C[SAH].NC[C@H](N)C(=O)O>>CNC[C@H](N)C(=O)O	RXN-21300
AKRT017160	NC(=O)OP(=O)(O)O.NC[C@H](N)C(=O)O>>NC(=O)NC[C@H](N)C(=O)O	RXN-16917
AKRT018279	NCCNC(=O)CC(O)(CC(=O)O)C(=O)O.NC[C@H](N)C(=O)O>>NCCNC(=O)CC(O)(CC(=O)NC[C@H](N)C(=O)O)C(=O)O	RXN-19822
AKRT018454	NC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O>>NC[C@H](N)C(=O)O	enzymemap_66449
AKRT018456	NC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O>>NC[C@H](N)C(=O)O	enzymemap_66449
AKRT018458	NC[C@H](N)C(=O)O.NCCNC(=O)CC(O)(CC(=O)O)C(=O)O>>NCCNC(=O)CC(O)(CC(=O)NC[C@H](N)C(=O)O)C(=O)O	enzymemap_90978
AKRT018459	NC[C@H](N)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O>>N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NC[C@H](N)C(=O)O)C(=O)O	enzymemap_90600
AKRT018460	NC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NC[C@H](N)C(=O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	RXN-23285
AKRT018461	NC[C@H](N)C(=O)O.O=C(O)/C=C/C(=O)O>>N[C@@H](CNC(=O)/C=C/C(=O)O)C(=O)O	RXN-16290
AKRT018462	NC[C@H](N)C(=O)O.O=C(O)C(=O)[CoA]>>N[C@@H](CNC(=O)C(=O)O)C(=O)O	2.3.1.58-RXN
AKRT018463	NC[C@H](N)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O>>N[C@@H](CNC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O	RXN-19820
AKRT018464	NC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CN[C@@H](CCC(=O)O)C(=O)O)C(=O)O	enzymemap_23283
AKRT018465	NC[C@H](N)C(=O)O>>CC(=O)C(=O)O	enzymemap_85526
AKRT018466	NC[C@H](N)C(=O)O>>NC[C@@H](N)C(=O)O	enzymemap_87055
AKRT019430	N[C@@H](CN[C@@H](CCC(=O)O)C(=O)O)C(=O)O>>NC[C@H](N)C(=O)O	RXN-18393
AKRT022620	O=C(O)C(=O)[CoA].NC[C@H](N)C(=O)O>>N[C@@H](CNC(=O)C(=O)O)C(=O)O	enzymemap_31517