BioLiP

PDB

BioLiP

PDB CCD ID:

HMC

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=C(C(C(C(C1O)O)O)O)CO
ACDLabs 10.04	OC1C(=CC(O)C(O)C1O)CO
OpenEye OEToolkits 1.5.0	C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO
CACTVS 3.341	OCC1=C[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	OCC1=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, 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).