BioLiP

PDB

BioLiP

PDB CCD ID:

PY0

Number of entries in BioLiP:

Chemical formula:

C3 H8 N O3

InChI:

InChI=1S/C3H8NO3/c1-2(5)3(4,6)7/h2,5-6H,4H2,1H3/q-1/t2-,3+/m0/s1

InChIKey:

ISJWJWXATCJUBY-STHAYSLISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CC(C(N)(O)[O-])O
CACTVS 3.352	C[CH](O)[C](N)(O)[O-]
OpenEye OEToolkits 1.6.1	C[C@@H]([C@@](N)(O)[O-])O
ACDLabs 10.04	[O-]C(O)(N)C(O)C
CACTVS 3.352	C[C@H](O)[C@@](N)(O)[O-]

Name:

(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate

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).