SEQ2FUN

BioLiP

PDB CCD ID: VI3
Number of entries in BioLiP: 0
Chemical formula: C3 H6 N O4 S
InChI: InChI=1S/C3H6NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1
InChIKey: RRLRIWQWKHHDRA-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C([C@@H](C(=O)O)N)[S-](=O)=O
CACTVS 3.385N[CH](C[S-](=O)=O)C(O)=O
CACTVS 3.385N[C@@H](C[S-](=O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(C(C(=O)O)N)[S-](=O)=O
Name:(2~{R})-2-azanyl-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]propanoic acid

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).