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BioLiP

PDB CCD ID: 5OP
Number of entries in BioLiP: 5
Chemical formula: C20 H30 O5
InChI: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+
InChIKey: YRTJDWROBKPZNV-SFTOQRQMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O
CACTVS 3.341CCCCCC(=O)C=C[CH]1C(O)CC(=O)[CH]1CC=CCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC(=O)C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O
CACTVS 3.341CCCCCC(=O)\C=C\[C@@H]1C(O)CC(=O)[C@H]1CC=CCCCC(O)=O
ACDLabs 10.04O=C(O)CCC/C=C/CC1C(=O)CC(O)C1\C=C\C(=O)CCCCC
Name:(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID;
15-OXO-PGE2
DrugBank: DB07177
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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