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BioLiP

PDB CCD ID: MCS
Number of entries in BioLiP: 0
Chemical formula: C6 H9 N O5 S
InChI: InChI=1S/C6H9NO5S/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
InChIKey: SAKROQSNEZIDKV-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](CSC(=O)CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)SC(=O)CC(=O)O
ACDLabs 10.04O=C(O)C(N)CSC(=O)CC(=O)O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)SC(=O)CC(=O)O
CACTVS 3.341N[CH](CSC(=O)CC(O)=O)C(O)=O
Name:MALONYL CYSTEINE
ZINC: ZINC000058638942
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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