BioLiP

PDB

BioLiP

PDB CCD ID:

B8R

Number of entries in BioLiP:

Chemical formula:

C13 H27 N3 O3

InChI:

InChI=1S/C13H27N3O3/c1-16(2)12(17)10(14)8-6-4-3-5-7-9-11(15)13(18)19/h10-11H,3-9,14-15H2,1-2H3,(H,18,19)/t10-,11+/m1/s1

InChIKey:

DSPAEOWBCAUTMS-MNOVXSKESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(C(CCCCCCCC(N)C(=O)N(C)C)N)(=O)O
OpenEye OEToolkits 2.0.6	CN(C)C(=O)[C@@H](CCCCCCC[C@@H](C(=O)O)N)N
CACTVS 3.385	CN(C)C(=O)[CH](N)CCCCCCC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6	CN(C)C(=O)C(CCCCCCCC(C(=O)O)N)N
CACTVS 3.385	CN(C)C(=O)[C@H](N)CCCCCCC[C@H](N)C(O)=O

Name:

(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic 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).