BioLiP

PDB

BioLiP

PDB CCD ID:

VQX

Number of entries in BioLiP:

Chemical formula:

C15 H26 N4 O5

InChI:

InChI=1S/C15H26N4O5/c16-18-17-7-5-3-1-2-4-6-10(21)19-11-9(8-20)13(22)15(24)14(23)12(11)19/h9,11-15,20,22-24H,1-8H2/t9-,11-,12-,13-,14-,15-,19-/m0/s1

InChIKey:

BVEYUFNXLOTLDG-DWDHYAMMSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]2[C@H]1N2C(=O)CCCCCCCN=[N+]=[N-]
CACTVS 3.385	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2[CH]1N2C(=O)CCCCCCCN=[N+]=[N-]
OpenEye OEToolkits 2.0.7	C(CCCC(=O)N1C2C1C(C(C(C2CO)O)O)O)CCCN=[N+]=[N-]
OpenEye OEToolkits 2.0.7	C(CCCC(=O)N1[C@@H]2C1[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)CCCN=[N+]=[N-]

Name:

8-azido-1-((1S,2S,3S,4S,5R,6S)-2,3,4-trihydroxy-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptan-7-yl)octan-1-one

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).