PJ2
Summary
| Name: | (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid |
| Synonyms: | delta12-prostaglandine J2 |
| Formula: | C20 H30 O4 |
| Formal charge: | 0 |
| Formula weight: | 334.45 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid |
| OpenEye OEToolkits | 1.6.1 | (Z)-7-[(1S,5Z)-5-[(3S)-3-hydroxyoctylidene]-4-oxo-cyclopent-2-en-1-yl]hept-5-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)CCC/C=C\CC1C=CC(=O)\C1=C/CC(O)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCCC[C@H](O)C\C=C/1[C@@H](C\C=C/CCCC(O)=O)C=CC/1=O |
| SMILES | CACTVS | 3.352 | CCCCC[CH](O)CC=C1[CH](CC=CCCCC(O)=O)C=CC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCC[C@@H](C/C=C\1/[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)O)O |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | TUXFWOHFPFBNEJ-WHYHPIPXSA-N |
