BioLiP

PDB

BioLiP

PDB CCD ID:

TY9

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1c(cc(c(c1O)OO)OO)CC(C(=O)O)N
CACTVS 3.370	N[CH](Cc1cc(O)c(OO)c(OO)c1)C(O)=O
CACTVS 3.370	N[C@@H](Cc1cc(O)c(OO)c(OO)c1)C(O)=O
ACDLabs 12.01	O=C(O)C(N)Cc1cc(O)c(OO)c(OO)c1
OpenEye OEToolkits 1.7.0	c1c(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, Lydia 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).