SEQ2FUN

BioLiP

PDB CCD ID: QPA
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N O8 P S
InChI: InChI=1S/C6H12NO8PS/c1-6(5(10)11,15-16(12,13)14)17-2-3(7)4(8)9/h3H,2,7H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,6-/m0/s1
InChIKey: SOTXSLHXKDYAQY-DZSWIPIPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[C](O[P](O)(O)=O)(SC[CH](N)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(OP(=O)(O)O)(SCC(C(=O)O)N)C
OpenEye OEToolkits 1.7.2CC(C(=O)O)(OP(=O)(O)O)SCC(C(=O)O)N
CACTVS 3.370C[C@](O[P](O)(O)=O)(SC[C@H](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.2C[C@](C(=O)O)(OP(=O)(O)O)SC[C@@H](C(=O)O)N
Name:S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine
ZINC: ZINC000098209337
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).