BioLiP

PDB

BioLiP

PDB CCD ID:

5OH

Number of entries in BioLiP:

Chemical formula:

C6 H12 N4 O3

InChI:

InChI=1S/C6H12N4O3/c7-4(5(12)13)2-1-3(11)10-6(8)9-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3+,4+/m1/s1

InChIKey:

JHJFDHNZNBHFJZ-UZBSEBFBSA-N

SMILES:

Software	SMILES
CACTVS 3.352	N[C@@H]([C@H]1C[C@H](O)N=C(N)N1)C(O)=O
OpenEye OEToolkits 1.7.0	C1C(NC(=NC1O)N)C(C(=O)O)N
OpenEye OEToolkits 1.7.0	C1[C@@H](NC(=N[C@H]1O)N)[C@@H](C(=O)O)N
CACTVS 3.352	N[CH]([CH]1C[CH](O)N=C(N)N1)C(O)=O

Name:

(2S)-amino[(4R,6S)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid

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).