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BioLiP

PDB CCD ID: TY9
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O7
InChI: InChI=1S/C9H11NO7/c10-5(9(12)13)1-4-2-6(11)8(17-15)7(3-4)16-14/h2-3,5,11,14-15H,1,10H2,(H,12,13)/t5-/m0/s1
InChIKey: RUCJCFAVRFCOCO-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c(cc(c(c1O)OO)OO)CC(C(=O)O)N
CACTVS 3.370N[CH](Cc1cc(O)c(OO)c(OO)c1)C(O)=O
CACTVS 3.370N[C@@H](Cc1cc(O)c(OO)c(OO)c1)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1cc(O)c(OO)c(OO)c1
OpenEye OEToolkits 1.7.0c1c(cc(c(c1O)OO)OO)C[C@@H](C(=O)O)N
Name:3,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine
ZINC: ZINC000058638761
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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