BioLiP

PDB

BioLiP

PDB CCD ID:

AFC

Number of entries in BioLiP:

Chemical formula:

C15 H31 N O2

InChI:

InChI=1S/C15H31NO2/c1-3-13(2)10-8-6-4-5-7-9-11-14(16)12-15(17)18/h13-14H,3-12,16H2,1-2H3,(H,17,18)/t13-,14-/m1/s1

InChIKey:

HBVNJKJYXNNKPM-ZIAGYGMSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CCC(C)CCCCCCCCC(CC(=O)O)N
ACDLabs 12.01	O=C(O)CC(N)CCCCCCCCC(C)CC
OpenEye OEToolkits 1.7.0	CC[C@@H](C)CCCCCCCC[C@H](CC(=O)O)N
CACTVS 3.370	CC[CH](C)CCCCCCCC[CH](N)CC(O)=O
CACTVS 3.370	CC[C@@H](C)CCCCCCCC[C@@H](N)CC(O)=O

Name:

(3R,12R)-3-amino-12-methyltetradecanoic acid

ZINC:

ZINC000098208647

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).