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BioLiP

PDB CCD ID: TOX
Number of entries in BioLiP: 0
Chemical formula: C11 H12 N2 O4
InChI: InChI=1S/C11H12N2O4/c12-9(11(14)15)5-7-6-13(17-16)10-4-2-1-3-8(7)10/h1-4,6,9,16H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKey: STOHYHPMXPRWTJ-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(cn2OO)CC(C(=O)O)N
CACTVS 3.370N[C@@H](Cc1cn(OO)c2ccccc12)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc2c1ccccc1n(OO)c2
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(cn2OO)C[C@@H](C(=O)O)N
CACTVS 3.370N[CH](Cc1cn(OO)c2ccccc12)C(O)=O
Name:1-hydroperoxy-L-tryptophan
DrugBank: DB08638
ZINC: ZINC000098209458
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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