BioLiP

PDB

BioLiP

PDB CCD ID:

YBJ

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O3

InChI:

InChI=1S/C7H15NO3/c1-4-7(10-2)5(8)3-6(9)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5-,6?,7-/m0/s1

InChIKey:

ZECQVPSAXSIXIC-KQXJUZEQSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CO[CH]1[CH](N)C[CH](O)O[CH]1C
OpenEye OEToolkits 2.0.7	CC1C(C(CC(O1)O)N)OC
OpenEye OEToolkits 2.0.7	C[C@H]1[C@@H]([C@H](C[C@H](O1)O)N)OC
CACTVS 3.385	CO[C@@H]1[C@@H](N)C[C@H](O)O[C@H]1C

Name:

(2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol;
L-actinosamine

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).