BioLiP

PDB

BioLiP

PDB CCD ID:

ZWZ

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2 O3

InChI:

InChI=1S/C7H16N2O3/c1-3-5(10)7(12)6(11)4(2-8)9-3/h3-7,9-12H,2,8H2,1H3/t3-,4+,5+,6+,7+/m0/s1

InChIKey:

AKIVXVRDQKFDJC-CQOGJGKDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(C(C(C(N1)CN)O)O)O
OpenEye OEToolkits 1.5.0	C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O
CACTVS 3.341	C[C@@H]1N[C@H](CN)[C@@H](O)[C@H](O)[C@@H]1O
CACTVS 3.341	C[CH]1N[CH](CN)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04	OC1C(O)C(O)C(NC1CN)C

Name:

(2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol

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).