BioLiP

PDB

BioLiP

PDB CCD ID:

L9D

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O6

InChI:

InChI=1S/C7H13NO6/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-6,9-12H,8H2,(H,13,14)/t1-,2+,3+,4-,5-,6-/m0/s1

InChIKey:

POIWYXZEYSYIEW-HOZKJCLWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1C(O)=O
OpenEye OEToolkits 2.0.7	C1(C(C(C(C(C1O)O)O)O)N)C(=O)O
OpenEye OEToolkits 2.0.7	[C@H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)C(=O)O
CACTVS 3.385	N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
ACDLabs 12.01	C1(C(C(C(C(C1N)C(O)=O)O)O)O)O

Name:

(1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid;
cyclophellitol-aziridine, open form

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).