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BioLiP

PDB CCD ID: PGX
Number of entries in BioLiP: 4
Chemical formula: C20 H32 O6
InChI: InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey: SGUKUZOVHSFKPH-YNNPMVKQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCC[CH](OO)C=C[CH]1[CH]2C[CH](OO2)[CH]1CC=CCCCC(O)=O
CACTVS 3.341CCCCC[C@H](OO)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
ACDLabs 10.04O=C(O)CCC/C=C\CC2C1OOC(C1)C2/C=C/C(OO)CCCCC
OpenEye OEToolkits 1.5.0CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OO2)OO
OpenEye OEToolkits 1.5.0CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO
Name:7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID;
PROSTAGLANDIN G2
DrugBank: DB03866
ZINC: ZINC000008220097
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)(download the PDF file).
  • 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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