BioLiP

PDB

BioLiP

PDB CCD ID:

0JU

Number of entries in BioLiP:

Chemical formula:

C5 H11 N3 O

InChI:

InChI=1S/C5H11N3O/c6-3-4(7)1-2-5(8)9/h3-4,6H,1-2,7H2,(H2,8,9)/b6-3-/t4-/m0/s1

InChIKey:

IBIWXPIHBJDWKY-XVZWPQLSSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@@H](CCC(N)=O)C=N
OpenEye OEToolkits 1.7.6	C(CC(=O)N)C(C=N)N
OpenEye OEToolkits 1.7.6	[H]/N=C\[C@H](CCC(=O)N)N
ACDLabs 12.01	O=C(N)CCC(C=[N@H])N
CACTVS 3.370	N[CH](CCC(N)=O)C=N

Name:

(4S,5Z)-4-amino-5-iminopentanamide

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).