BioLiP

PDB

BioLiP

PDB CCD ID:

RER

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O3

InChI:

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

InChIKey:

OIJZDPGKNVKVBL-WNJXEPBRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CC1C(C(CC(O1)O)(C)N)O
OpenEye OEToolkits 1.6.1	C[C@H]1[C@H]([C@@](C[C@@H](O1)O)(C)N)O
CACTVS 3.352	C[C@@H]1O[C@@H](O)C[C@](C)(N)[C@@H]1O
ACDLabs 10.04	OC1OC(C(O)C(N)(C)C1)C
CACTVS 3.352	C[CH]1O[CH](O)C[C](C)(N)[CH]1O

Name:

vancosamine;
(1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose

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).