BioLiP

PDB

BioLiP

PDB CCD ID:

HSK

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O3

InChI:

InChI=1S/C6H9N3O3/c7-5(6(10)11)1-4-2-8-3-9(4)12/h2-3,5,12H,1,7H2,(H,10,11)/t5-/m0/s1

InChIKey:

MPVGZUDRATZEEE-YFKPBYRVSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(N)Cc1cncn1O
OpenEye OEToolkits 1.7.6	c1c(n(cn1)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6	c1c(n(cn1)O)CC(C(=O)O)N
CACTVS 3.385	N[CH](Cc1cncn1O)C(O)=O
CACTVS 3.385	N[C@@H](Cc1cncn1O)C(O)=O

Name:

3-hydroxy-L-histidine

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).