BioLiP

PDB

BioLiP

PDB CCD ID:

VIO

Number of entries in BioLiP:

Chemical formula:

C9 H20 N3 O2

InChI:

InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/p+1/t7-/m0/s1

InChIKey:

KRILJVOCVSUPMA-ZETCQYMHSA-O

SMILES:

Software	SMILES
CACTVS 3.341	CCCC(=[NH2+])NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	CCCC(=[NH2+])NCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N
CACTVS 3.341	CCCC(=[NH2+])NCCC[CH](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCCN/C(=[NH2+])CCC

Name:

N5-(1-IMINO-3-BUTENYL)-L-ORNITHINE

DrugBank:

DB03710

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).