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BioLiP

PDB CCD ID: 1AR
Number of entries in BioLiP: 0
Chemical formula: C9 H16 O5
InChI: InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7-,8-,9-/m0/s1
InChIKey: YJOQPCPEUGDGFS-ZITKLIBNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(CC(O1)O)(C)O)OC(=O)C
CACTVS 3.341C[CH]1O[CH](O)C[C](C)(O)[CH]1OC(C)=O
ACDLabs 10.04O=C(OC1C(OC(O)CC1(O)C)C)C
OpenEye OEToolkits 1.5.0C[C@H]1[C@@H]([C@@](C[C@H](O1)O)(C)O)OC(=O)C
CACTVS 3.341C[C@@H]1O[C@H](O)C[C@](C)(O)[C@H]1OC(C)=O
Name:4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSE
ZINC: ZINC000058632467
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).
  • 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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