BioLiP

PDB

BioLiP

PDB CCD ID:

D6M

Number of entries in BioLiP:

Chemical formula:

C21 H39 N O5

InChI:

InChI=1S/C21H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(26)27)16-17-20(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1

InChIKey:

KMAOMYOPEIRFLB-SFHVURJKSA-N

SMILES:

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

Name:

N-hexadecanoyl-L-glutamic acid

ZINC:

ZINC000028538229

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).