BioLiP

PDB

BioLiP

PDB CCD ID:

A1H51

Number of entries in BioLiP:

Chemical formula:

C20 H35 N3 O3

InChI:

InChI=1S/C20H35N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)23-18(20(25)26)14-17-15-21-16-22-17/h15-16,18H,2-14H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t18-/m0/s1

InChIKey:

OFYZXDHFDCJNGQ-SFHVURJKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCC(=O)NC(Cc1cnc[nH]1)C(=O)O
CACTVS 3.385	CCCCCCCCCCCCCC(=O)N[CH](Cc1[nH]cnc1)C(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
CACTVS 3.385	CCCCCCCCCCCCCC(=O)N[C@@H](Cc1[nH]cnc1)C(O)=O

Name:

(2~{S})-3-(1~{H}-imidazol-5-yl)-2-(tetradecanoylamino)propanoic 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).