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BioLiP Library

PDB CCD ID: DEI
Number of entries in BioLiP: 0
Chemical formula: C4 H6 O3 S
InChI: InChI=1S/C4H6O3S/c1-8-2-3(5)4(6)7/h2,5H,1H3,(H,6,7)/b3-2-
InChIKey: VOKJWIQPUMADMU-IHWYPQMZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CS\C=C(\C(=O)O)/O
CACTVS 3.341CSC=C(O)C(O)=O
CACTVS 3.341CS\C=C(O)\C(O)=O
OpenEye OEToolkits 1.5.0CSC=C(C(=O)O)O
ACDLabs 10.04O=C(O)C(\O)=C\SC
Name:(2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid
ZINC: ZINC000103538756
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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