BioLiP

PDB

BioLiP

PDB CCD ID:

16E

Number of entries in BioLiP:

Chemical formula:

C21 H37 N O7

InChI:

InChI=1S/C21H37NO7/c23-18(22-17(21(28)29)15-16-20(26)27)13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(24)25/h17H,1-16H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1

InChIKey:

SGIVALYPXQHYAY-KRWDZBQOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C(CCCCCCCC(=O)O)CCCCCCC(=O)NC(CCC(=O)O)C(=O)O
CACTVS 3.385	OC(=O)CCCCCCCCCCCCCCC(=O)N[CH](CCC(O)=O)C(O)=O
CACTVS 3.385	OC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2	C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
ACDLabs 12.01	O=C(NC(C(=O)O)CCC(=O)O)CCCCCCCCCCCCCCC(=O)O

Name:

N-(16-Carboxyhexadecanoyl)-L-glutamic acid

ZINC:

ZINC000098207924

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).