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BioLiP

PDB CCD ID: CGV
Number of entries in BioLiP: 0
Chemical formula: C5 H9 N O5 S
InChI: InChI=1S/C5H9NO5S/c6-2(3(7)8)1-12-5(11)4(9)10/h2,5,11H,1,6H2,(H,7,8)(H,9,10)/t2-,5+/m0/s1
InChIKey: ROTCVIARKSMYOM-JLAZNSOCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O
CACTVS 3.385N[CH](CS[CH](O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(C(C(=O)O)N)SC(C(=O)O)O
ACDLabs 12.01O=C(O)C(O)SCC(C(=O)O)N
CACTVS 3.385N[C@@H](CS[C@@H](O)C(O)=O)C(O)=O
Name:S-[(R)-carboxy(hydroxy)methyl]-L-cysteine
ZINC: ZINC000263620987
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)(download the PDF file).
  • 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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