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BioLiP

PDB CCD ID: G01
Number of entries in BioLiP: 2
Chemical formula: C6 H12 N O6 P
InChI: InChI=1S/C6H12NO6P/c1-14(12,13)7-4(6(10)11)2-3-5(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H2,7,12,13)/t4-/m1/s1
InChIKey: XVXVUGZUKCQIOK-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CP(=O)(NC(CCC(=O)O)C(=O)O)O
CACTVS 3.341C[P](O)(=O)N[CH](CCC(O)=O)C(O)=O
ACDLabs 10.04O=C(O)CCC(NP(=O)(O)C)C(=O)O
CACTVS 3.341C[P@](O)(=O)N[C@H](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O)O
Name:N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid;
N-PHOSPHONOMETHYL-D-GLUTAMIC ACID
ChEMBL: CHEMBL1232884
ZINC: ZINC000034279157
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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