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BioLiP

PDB CCD ID: OTB
Number of entries in BioLiP: 0
Chemical formula: C5 H10 O3
InChI: InChI=1/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7)/f/h6H
InChIKey: XKXIQBVKMABYQJ-BRMMOCHJCR
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(C)OC(=O)O
ACDLabs 10.04O=C(O)OC(C)(C)C
CACTVS 3.341CC(C)(C)OC(O)=O
Name:TERTIARY-BUTOXYFORMIC ACID
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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