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BioLiP

PDB CCD ID: CYD
Number of entries in BioLiP: 0
Chemical formula: C9 H16 N2 O5 S
InChI: InChI=1S/C9H16N2O5S/c10-6(8(13)14)2-1-5(12)3-17-4-7(11)9(15)16/h6-7H,1-4,10-11H2,(H,13,14)(H,15,16)/t6-,7-/m0/s1
InChIKey: HSTBQJNXRSCXIP-BQBZGAKWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CCC(=O)CSC[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)CSCC(C(=O)O)N)C(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CSCC(=O)CCC(C(=O)O)N
CACTVS 3.341N[C@@H](CCC(=O)CSC[C@H](N)C(O)=O)C(O)=O
Name:2-AMINO-6-(CYSTEIN-S-YL)-5-OXO-HEXANOIC ACID
ZINC: ZINC000006620286
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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