BioLiP

PDB

BioLiP

PDB CCD ID:

KV6

Number of entries in BioLiP:

Chemical formula:

C17 H35 N O2

InChI:

InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1

InChIKey:

DDQVUIVECUEYEG-MRXNPFEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCCCCCC[CH](N)CC(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCC[C@H](CC(=O)O)N
ACDLabs 12.01	NC(CCCCCCCCCCCCCC)CC(=O)O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCC(CC(=O)O)N
CACTVS 3.385	CCCCCCCCCCCCCC[C@@H](N)CC(O)=O

Name:

(3R)-3-aminoheptadecanoic acid;
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl )-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl ]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide

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).