BioLiP

PDB

BioLiP

PDB CCD ID:

MNM

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O4

InChI:

InChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1

InChIKey:

BHOYFRIRWXBNHP-ZXXMMSQZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(C(C(C(N1)O)O)O)CO
CACTVS 3.341	OC[CH]1CN[CH](O)[CH](O)[CH]1O
CACTVS 3.341	OC[C@H]1CN[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO
ACDLabs 10.04	OC1C(CNC(O)C1O)CO

Name:

(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE

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).