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BioLiP

PDB CCD ID: TPZ
Number of entries in BioLiP: 6
Chemical formula: C9 H18 N O7 P S
InChI: InChI=1S/C9H18NO7PS/c1-6(17-18(14,15)16)8(9(12)13)10-7(11)4-2-3-5-19/h6,8,19H,2-5H2,1H3,(H,10,11)(H,12,13)(H2,14,15,16)/t6-,8+/m1/s1
InChIKey: PXLGZPNRHROFQI-SVRRBLITSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C(C(=O)O)NC(=O)CCCCS)OP(=O)(O)O
CACTVS 3.370C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCS)C(O)=O
CACTVS 3.370C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCS)C(O)=O
ACDLabs 12.01O=C(NC(C(=O)O)C(OP(=O)(O)O)C)CCCCS
OpenEye OEToolkits 1.7.0C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=O)(O)O
Name:O-phosphono-N-(5-sulfanylpentanoyl)-L-threonine
ZINC: ZINC000058633677
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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