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BioLiP Library

PDB CCD ID: DDB
Number of entries in BioLiP: 0
Chemical formula: C7 H14 O4
InChI: InChI=1/C7H14O4/c1-4-6(9)7(2,10)3-5(8)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5-,6-,7+/m1/s1
InChIKey: YQLFLCVNXSPEKQ-GBNDHIKLBG
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(CC(O1)O)(C)O)O
CACTVS 3.341C[C@H]1O[C@@H](O)C[C@](C)(O)[C@@H]1O
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O
ACDLabs 10.04OC1(C)C(O)C(OC(O)C1)C
CACTVS 3.341C[CH]1O[CH](O)C[C](C)(O)[CH]1O
Name:3-METHYL-2,6-DIDEOXY-BETA-D-ALLOPYRANOSE;
3-O-METHYL-2,6-DIDEOXY-BETA-D-ALTROPYRANOSE
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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