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BioLiP

PDB CCD ID: ISD
Number of entries in BioLiP: 3
Chemical formula: C6 H8 O6
InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1
InChIKey: CIWBSHSKHKDKBQ-DUZGATOHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH]1OC(=O)C(=C1O)O
OpenEye OEToolkits 1.5.0C(C(C1C(=C(C(=O)O1)O)O)O)O
CACTVS 3.341OC[C@@H](O)[C@H]1OC(=O)C(=C1O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
ACDLabs 10.04O=C1OC(C(O)=C1O)C(O)CO
Name:ISOASCORBIC ACID;
(5R)-5-[(1R)-1,2-DIHYDROXYETHYL]-3,4-DIHYDROXYFURAN-2(5H)-ONE
ChEMBL: CHEMBL486293
ZINC: ZINC000100006772
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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