BioLiP

PDB

BioLiP

PDB CCD ID:

FFM

Number of entries in BioLiP:

Chemical formula:

C6 H14 N O6 P S

InChI:

InChI=1S/C6H14NO6PS/c1-3(6(10)14(11,12)13)15-2-4(7)5(8)9/h3-4,6,10H,2,7H2,1H3,(H,8,9)(H2,11,12,13)/t3-,4+,6-/m1/s1

InChIKey:

VNLJGMRDCGQBGN-ALEPSDHESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O)N
CACTVS 3.352	C[CH](SC[CH](N)C(O)=O)[CH](O)[P](O)(O)=O
OpenEye OEToolkits 1.7.0	CC(C(O)P(=O)(O)O)SCC(C(=O)O)N
CACTVS 3.352	C[C@@H](SC[C@H](N)C(O)=O)[C@H](O)[P](O)(O)=O

Name:

S-[(1R,2R)-2-hydroxy-1-methyl-2-phosphonoethyl]-L-cysteine

ZINC:

ZINC000058633186

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).