BioLiP

PDB

BioLiP

PDB CCD ID:

Q6M

Number of entries in BioLiP:

Chemical formula:

C10 H24 N2 O2

InChI:

InChI=1S/C10H24N2O2/c1-10(13,14)6-3-2-4-8-12-9-5-7-11/h12-14H,2-9,11H2,1H3

InChIKey:

VZPARMKCSXRGQB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(O)(O)CCCCCNCCCN
OpenEye OEToolkits 2.0.7	CC(CCCCCNCCCN)(O)O
ACDLabs 12.01	C(NCCCCCC(C)(O)O)CCN

Name:

7-[(3-aminopropyl)amino]heptane-2,2-diol

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).