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BioLiP

PDB CCD ID: HMC
Number of entries in BioLiP: 12
Chemical formula: C7 H12 O5
InChI: InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
InChIKey: PJPGMULJEYSZBS-VZFHVOOUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(C(C(C1O)O)O)O)CO
ACDLabs 10.04OC1C(=CC(O)C(O)C1O)CO
OpenEye OEToolkits 1.5.0C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO
CACTVS 3.341OCC1=C[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Name:5-HYDROXYMETHYL-CHONDURITOL
ChEMBL: CHEMBL1233349
DrugBank: DB03092
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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