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BioLiP

PDB CCD ID: 0IP
Number of entries in BioLiP: 1
Chemical formula: C24 H30 O7
InChI: InChI=1S/C24H30O7/c1-11-10-24(30)21(5)9-8-13(25)20(3,4)15(21)14(26)18(28)23(24,7)16-19(29)31-12(2)17(27)22(11,16)6/h12,16,26,30H,1,8-10H2,2-7H3/t12-,16-,21+,22+,23-,24+/m0/s1
InChIKey: BSUMMOUMVQVPGZ-JUKAANMSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1C(=O)C2(C(C(=O)O1)C3(C(=O)C(=C4C(C(=O)CCC4(C3(CC2=C)O)C)(C)C)O)C)C
OpenEye OEToolkits 2.0.7C[C@H]1C(=O)[C@]2([C@H](C(=O)O1)[C@]3(C(=O)C(=C4[C@]([C@@]3(CC2=C)O)(CCC(=O)C4(C)C)C)O)C)C
CACTVS 3.385C[CH]1OC(=O)[CH]2[C](C)(C(=C)C[C]3(O)[C]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C]23C)C1=O
CACTVS 3.385C[C@@H]1OC(=O)[C@H]2[C@@](C)(C(=C)C[C@@]3(O)[C@]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C@]23C)C1=O
Name:Terretonin C
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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