BioLiP

PDB

BioLiP

PDB CCD ID:

EE3

Number of entries in BioLiP:

Chemical formula:

C10 H15 N3 O4

InChI:

InChI=1S/C10H15N3O4/c11-7(10(15)16)3-1-2-4-13-9(14)8-5-12-6-17-8/h5-7H,1-4,11H2,(H,13,14)(H,15,16)/t7-/m0/s1

InChIKey:

OXEFIYHXARXMRR-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCCNC(=O)c1ocnc1)C(O)=O
OpenEye OEToolkits 2.0.7	c1c(ocn1)C(=O)NCCCCC(C(=O)O)N
CACTVS 3.385	N[C@@H](CCCCNC(=O)c1ocnc1)C(O)=O
OpenEye OEToolkits 2.0.7	c1c(ocn1)C(=O)NCCCC[C@@H](C(=O)O)N

Name:

(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid

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).