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BioLiP

PDB CCD ID: HPF
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N O7 P
InChI: InChI=1S/C9H14NO7P/c11-7-4-2-1-3-6(7)10-9(13)8(12)5-17-18(14,15)16/h1-4,8-13H,5H2,(H2,14,15,16)/t8-,9-/m1/s1
InChIKey: SPOVITMZOKMJPQ-RKDXNWHRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)Nc1ccccc1O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)Nc1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)NC(C(COP(=O)(O)O)O)O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)Nc1ccccc1O
Name:1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE
ZINC: ZINC000033913600
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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