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BioLiP

PDB CCD ID: FFM
Number of entries in BioLiP: 0
Chemical formula: C6 H14 N O6 P S
InChI: InChI=1S/C6H14NO6PS/c1-3(6(10)14(11,12)13)15-2-4(7)5(8)9/h3-4,6,10H,2,7H2,1H3,(H,8,9)(H2,11,12,13)/t3-,4+,6-/m1/s1
InChIKey: VNLJGMRDCGQBGN-ALEPSDHESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O)N
CACTVS 3.352C[CH](SC[CH](N)C(O)=O)[CH](O)[P](O)(O)=O
OpenEye OEToolkits 1.7.0CC(C(O)P(=O)(O)O)SCC(C(=O)O)N
CACTVS 3.352C[C@@H](SC[C@H](N)C(O)=O)[C@H](O)[P](O)(O)=O
Name:S-[(1R,2R)-2-hydroxy-1-methyl-2-phosphonoethyl]-L-cysteine
ZINC: ZINC000058633186
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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