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BioLiP

PDB CCD ID: MPH
Number of entries in BioLiP: 2
Chemical formula: C4 H12 N O3 P S
InChI: InChI=1S/C4H12NO3PS/c1-10-3-2-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1
InChIKey: XKCSXHUCPYVQIW-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCCC(N)P(=O)(O)O
OpenEye OEToolkits 1.5.0CSCC[C@H](N)P(=O)(O)O
CACTVS 3.341CSCC[CH](N)[P](O)(O)=O
CACTVS 3.341CSCC[C@H](N)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C(N)CCSC
Name:(1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID;
METHIONINE PHOSPHONATE
DrugBank: DB02151
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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