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BioLiP

PDB CCD ID: CYG
Number of entries in BioLiP: 0
Chemical formula: C8 H14 N2 O5 S
InChI: InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)16-3-5(10)8(14)15/h4-5H,1-3,9-10H2,(H,12,13)(H,14,15)/t4-,5-/m0/s1
InChIKey: WYPPJURMNVTTGD-WHFBIAKZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](CCC(=O)SC[CH](N)C(O)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(=O)SC[C@H](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0C(CC(=O)SCC(C(=O)O)N)C(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CSC(=O)CCC(C(=O)O)N
Name:2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-BUTYRIC ACID
ZINC: ZINC000006620290
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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