BioLiP

PDB

BioLiP

PDB CCD ID:

ZZZ

Number of entries in BioLiP:

Chemical formula:

C7 H9 N5 O2

InChI:

InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-3,10H,1H2,(H4,8,9,11,12,14)/t3-/m1/s1

InChIKey:

LBARDZPDAYELSB-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(NC2=C(N1)N=C(NC2=O)N)C=O
CACTVS 3.341	NC1=NC2=C(N[CH](CN2)C=O)C(=O)N1
CACTVS 3.341	NC1=NC2=C(N[C@H](CN2)C=O)C(=O)N1
OpenEye OEToolkits 1.5.0	C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C=O
ACDLabs 10.04	O=CC1NC=2C(=O)NC(=NC=2NC1)N

Name:

6-FORMYLTETRAHYDROPTERIN;
(6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDINE-6-CARBALDEHYDE

ZINC:

ZINC000036470936

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).