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BioLiP Library

PDB CCD ID: PJ2
Number of entries in BioLiP: 3
Chemical formula: C20 H30 O4
InChI: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14-/t16-,17-/m0/s1
InChIKey: TUXFWOHFPFBNEJ-WHYHPIPXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CCCCC[C@H](O)C\C=C/1[C@@H](C\C=C/CCCC(O)=O)C=CC/1=O
OpenEye OEToolkits 1.7.0CCCCCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)O)O
OpenEye OEToolkits 1.7.0CCCCC[C@@H](C/C=C\1/[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O
CACTVS 3.352CCCCC[CH](O)CC=C1[CH](CC=CCCCC(O)=O)C=CC1=O
ACDLabs 11.02O=C(O)CCC/C=C\CC1C=CC(=O)\C1=C/CC(O)CCCCC
Name:(5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid;
delta12-prostaglandine J2
ZINC: ZINC000100612358
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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