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BioLiP

PDB CCD ID: X2W
Number of entries in BioLiP: 3
Chemical formula: C7 H12 N O8 P
InChI: InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1
InChIKey: FCVIHFVSXHOPSW-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(=O)NC(CCC(=O)OP(=O)(O)O)C(=O)O
CACTVS 3.352CC(=O)N[C@@H](CCC(=O)O[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C
CACTVS 3.352CC(=O)N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.6.1CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O
Name:N-ACETYL-L-GLUTAMYL 5-PHOSPHATE;
N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE
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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