BioLiP

PDB

BioLiP

PDB CCD ID:

AL0

Number of entries in BioLiP:

Chemical formula:

C3 H7 N3 O4

InChI:

InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1

InChIKey:

MLFKVJCWGUZWNV-REOHCLBHSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)CN(O)N=O
CACTVS 3.341	N[C@@H](CN(O)N=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(C(C(=O)O)N)N(N=O)O
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)O)N)N(N=O)O
CACTVS 3.341	N[CH](CN(O)N=O)C(O)=O

Name:

3-[HYDROXY(NITROSO)AMINO]-L-ALANINE;
L-ALANOSINE

ChEMBL:

CHEMBL452715

DrugBank:

DB05540

ZINC:

ZINC000004214744

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).