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BioLiP

PDB CCD ID: DUV
Number of entries in BioLiP: 1
Chemical formula: C8 H10 O3
InChI: InChI=1S/C8H10O3/c1-2-3-4-5-7(6-9)8(10)11/h1,6-7H,3-5H2,(H,10,11)/t7-/m1/s1
InChIKey: XEBGKYCHRCIWRY-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C#CCCC[C@H](C=O)C(=O)O
CACTVS 3.385OC(=O)[C@H](CCCC#C)C=O
CACTVS 3.385OC(=O)[CH](CCCC#C)C=O
OpenEye OEToolkits 2.0.6C#CCCCC(C=O)C(=O)O
Name:(2R)-2-methanoylhept-6-ynoic 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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