BioLiP

PDB

BioLiP

PDB CCD ID:

00C

Number of entries in BioLiP:

Chemical formula:

C3 H7 N O5 S

InChI:

InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1

InChIKey:

XVOYSCVBGLVSOL-UWTATZPHSA-N

SMILES:

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

Name:

3-sulfo-D-alanine;
D-Cysteine sulfinic acid

ZINC:

ZINC000003861739

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).