BioLiP

PDB

BioLiP

PDB CCD ID:

7C2

Number of entries in BioLiP:

Chemical formula:

C12 H25 N O3

InChI:

InChI=1S/C12H25NO3/c1-2-3-5-8-11(16-12(14)15)9-6-4-7-10-13/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m1/s1

InChIKey:

BLHICXSRHDZESY-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCC[C@H](CCCCCN)OC(=O)O
CACTVS 3.385	CCCCC[C@H](CCCCCN)OC(O)=O
CACTVS 3.385	CCCCC[CH](CCCCCN)OC(O)=O
ACDLabs 12.01	CCCCCC(CCCCCN)OC(O)=O
OpenEye OEToolkits 2.0.6	CCCCCC(CCCCCN)OC(=O)O

Name:

(6R)-1-aminoundecan-6-yl hydrogen carbonate

ZINC:

ZINC000584905349

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).