BioLiP

PDB

BioLiP

PDB CCD ID:

KIK

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O2

InChI:

InChI=1S/C5H9NO2/c1-2-5(8)4(6)3-7/h2,4,7H,1,3,6H2/t4-/m0/s1

InChIKey:

UCJPATVGPSMUQX-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	C=CC(=O)[C@H](CO)N
OpenEye OEToolkits 2.0.5	C=CC(=O)C(CO)N
CACTVS 3.385	N[C@@H](CO)C(=O)C=C
CACTVS 3.385	N[CH](CO)C(=O)C=C

Name:

(4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one

ZINC:

ZINC000116725649

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).