BioLiP

PDB

BioLiP

PDB CCD ID:

A1L3I

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3

InChI:

InChI=1S/C6H13NO3/c1-6(2,10)4(7-3)5(8)9/h4,7,10H,1-3H3,(H,8,9)/t4-/m1/s1

InChIKey:

OMDFZKXSWRGNGX-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(C(C(=O)O)NC)O
CACTVS 3.385	CN[C@H](C(O)=O)C(C)(C)O
OpenEye OEToolkits 2.0.7	CC(C)([C@@H](C(=O)O)NC)O
CACTVS 3.385	CN[CH](C(O)=O)C(C)(C)O

Name:

(2~{S})-3-methyl-2-(methylamino)-3-oxidanyl-butanoic acid;
5-METHYL-4-METHYLAMINO-TETRAHYDRO-PYRAN-2,3,5-TRIOL;
3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinose;
3-deoxy-4-C-methyl-3-(methylamino)-L-arabinose;
3-deoxy-4-C-methyl-3-(methylamino)-arabinose

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).