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BioLiP

PDB CCD ID: 4M8
Number of entries in BioLiP: 1
Chemical formula: C5 H12 N O5 P
InChI: InChI=1S/C5H12NO5P/c1-11-12(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKey: IPFNRXLLJYWAGI-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CO[P](O)(=O)CC[CH](N)C(O)=O
CACTVS 3.385CO[P](O)(=O)CC[C@H](N)C(O)=O
ACDLabs 12.01O=P(CCC(C(O)=O)N)(O)OC
OpenEye OEToolkits 1.9.2CO[P@](=O)(CC[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.9.2COP(=O)(CCC(C(=O)O)N)O
Name:(2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid
ZINC: ZINC000089456238
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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