BioLiP

PDB

BioLiP

PDB CCD ID:

C3Y

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O4 S

InChI:

InChI=1S/C5H12N2O4S/c1-5(10,7-11)12-2-3(6)4(8)9/h3,7,10-11H,2,6H2,1H3,(H,8,9)/t3-,5-/m0/s1

InChIKey:

XIYHYGCLIYYYPL-UCORVYFPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(NO)(O)SCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	C[C@](NO)(O)SC[C@@H](C(=O)O)N
CACTVS 3.341	C[C@@](O)(NO)SC[C@H](N)C(O)=O
CACTVS 3.341	C[C](O)(NO)SC[CH](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CSC(O)(NO)C

Name:

S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-L-CYSTEINE

ZINC:

ZINC000064426402

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).