BioLiP

PDB

BioLiP

PDB CCD ID:

MAT

Number of entries in BioLiP:

Chemical formula:

C9 H19 N O3

InChI:

InChI=1S/C9H19NO3/c1-6(2)10-7-5-13-9(11)4-8(7)12-3/h6-11H,4-5H2,1-3H3/t7-,8-,9+/m0/s1

InChIKey:

GSIBYRWDWAKORN-XHNCKOQMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)N[C@H]1CO[C@H](C[C@@H]1OC)O
ACDLabs 11.02	O(C)C1C(NC(C)C)COC(O)C1
CACTVS 3.352	CO[C@H]1C[C@H](O)OC[C@@H]1NC(C)C
OpenEye OEToolkits 1.7.0	CC(C)NC1COC(CC1OC)O
CACTVS 3.352	CO[CH]1C[CH](O)OC[CH]1NC(C)C

Name:

2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentopyranose;
2,4-DIDEOXY-4-[2-(PROPYL)AMINO]-3-O-METHYL ALPHA-L-THREO-PENTOPYRANOSIDE;
2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentose;
2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-L-threo-pentose;
2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-threo-pentose

ZINC:

ZINC000005963302

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).