BioLiP

PDB

BioLiP

PDB CCD ID:

EMP

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O3

InChI:

InChI=1S/C8H17NO3/c1-3-9-6-5-12-8(10)4-7(6)11-2/h6-10H,3-5H2,1-2H3/t6-,7-,8+/m0/s1

InChIKey:

OSWHMLHEYCWQRU-BIIVOSGPSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCN[CH]1CO[CH](O)C[CH]1OC
OpenEye OEToolkits 1.5.0	CCNC1COC(CC1OC)O
OpenEye OEToolkits 1.5.0	CCN[C@H]1CO[C@H](C[C@@H]1OC)O
ACDLabs 10.04	O(C)C1C(NCC)COC(O)C1
CACTVS 3.341	CCN[C@H]1CO[C@@H](O)C[C@@H]1OC

Name:

2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose;
2,4-DIDEOXY-4-(ETHYLAMINO)-3-O-METHYL ALPHA-L-THREO-PENTOPYRANOSIDE;
2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentose;
2,4-dideoxy-4-(ethylamino)-3-O-methyl-L-threo-pentose;
2,4-dideoxy-4-(ethylamino)-3-O-methyl-threo-pentose

ZINC:

ZINC000006424827

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).