BioLiP

PDB

BioLiP

PDB CCD ID:

04U

Number of entries in BioLiP:

Chemical formula:

C5 H9 N4 O2

InChI:

InChI=1S/C5H8N4O2/c6-9-8-3-1-4(5(10)11)7-2-3/h3-4,6-7H,1-2H2/p+1/t3-,4-/m0/s1

InChIKey:

QHXBBWVACLXCJH-IMJSIDKUSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C1C(CNC1C(=O)O)N=[N+]=N
OpenEye OEToolkits 1.9.2	C1[C@@H](CN[C@@H]1C(=O)O)N=[N+]=N
CACTVS 3.385	OC(=O)[CH]1C[CH](CN1)N=[N+]=N
CACTVS 3.385	OC(=O)[C@@H]1C[C@@H](CN1)N=[N+]=N
ACDLabs 12.01	O=C(O)C1NCC(/N=[N+]=[N@H])C1

Name:

azanylidene-[(3S,5S)-5-carboxypyrrolidin-3-yl]imino-azanium

ZINC:

ZINC000098207764

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).