BioLiP

PDB

BioLiP

PDB CCD ID:

P8E

Number of entries in BioLiP:

248

Chemical formula:

C9 H18 N2 O6

InChI:

InChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/t3-,4-,5-,6-,7-,9-/m0/s1

InChIKey:

ZFZFJUIKYIVPNP-YXGHPGITSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C(C1C(C(CC(O1)(C(=O)O)O)O)N)N)O
OpenEye OEToolkits 2.0.7	C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O
ACDLabs 12.01	CC(O)C(C1OC(CC(C1N)O)(O)C(O)=O)N
CACTVS 3.385	C[C@H](O)[C@H](N)[C@@H]1O[C@@](O)(C[C@H](O)[C@@H]1N)C(O)=O
CACTVS 3.385	C[CH](O)[CH](N)[CH]1O[C](O)(C[CH](O)[CH]1N)C(O)=O

Name:

5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid

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).