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BioLiP

PDB CCD ID: OV7
Number of entries in BioLiP: 0
Chemical formula: C4 H7 N O4 S
InChI: InChI=1S/C4H7NO4S/c5-3(4(8)9)10-1-2(6)7/h3H,1,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
InChIKey: FDUUQONQQWJTKJ-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C(=O)O)SC(C(=O)O)N
OpenEye OEToolkits 2.0.7C(C(=O)O)S[C@H](C(=O)O)N
CACTVS 3.385N[CH](SCC(O)=O)C(O)=O
ACDLabs 12.01NC(C(O)=O)SCC(O)=O
CACTVS 3.385N[C@H](SCC(O)=O)C(O)=O
Name:(2R)-amino[(carboxymethyl)sulfanyl]acetic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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