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BioLiP

PDB CCD ID: JIM
Number of entries in BioLiP: 1
Chemical formula: C5 H10 O4
InChI: InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3/t5-/m1/s1
InChIKey: KMZHZAAOEWVPSE-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)OCC(CO)O
OpenEye OEToolkits 1.7.0CC(=O)OC[C@@H](CO)O
CACTVS 3.352CC(=O)OC[C@H](O)CO
CACTVS 3.352CC(=O)OC[CH](O)CO
Name:(2R)-2,3-dihydroxypropyl acetate;
(1R)-1-glycerol acetate
ZINC: ZINC000002015933
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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