BioLiP

PDB

BioLiP

PDB CCD ID:

ONW

Number of entries in BioLiP:

Chemical formula:

C9 H21 N O3

InChI:

InChI=1S/C9H21NO3/c1-8(10)6-13-9(2)7-12-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9-/m1/s1

InChIKey:

JKCPHDAMWZLSSR-RKDXNWHRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COCCOC[CH](C)OC[CH](C)N
OpenEye OEToolkits 2.0.7	CC(COC(C)COCCOC)N
CACTVS 3.385	COCCOC[C@@H](C)OC[C@@H](C)N
OpenEye OEToolkits 2.0.7	C[C@H](CO[C@H](C)COCCOC)N

Name:

(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine;
Jeffamine

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).