(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid
PubChem CID: 5716901
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| Compound Synonyms | 136768-22-4, (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid, OPC 6, OPC-6:0, 6-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid, (+/-)-OPC-6, (1R,2R)-3-oxo-2-(2'Z-pentenyl)cyclopentanehexanoic acid, OPC-6, DTXSID90420834, CHEBI:139085, CMC_7394, LMFA02010008, (+/-)-OPC 6, cyclopentanehexanoic acid, 3-oxo-2-[(2Z)-2-pentenyl]-, (1R,2R)-, 6-{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}hexanoic acid, Cyclopentanehexanoic acid, 3-oxo-2-(2-pentenyl)-, [1alpha,2alpha(Z)]-, Cyclopentanehexanoic acid, 3-oxo-2-(2-pentenyl)-, [1alpha,2alpha(Z)]-(?)-, Cyclopentanehexanoic acid, 3-oxo-2-(2Z)-2-pentenyl-, (1R,2R)-rel- (9CI) |
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| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | WIJWBOWLVOOYFR-BDSSXFGHSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | (+/-)-OPC 6, 3-oxo-2(2'[Z]-pentenyl)-cyclopentane-1-hexanoic acid, Opc 6 |
| Heavy Atom Count | 19.0 |
| Compound Name | (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid |
| Description | (9r,13r)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid, also known as opc-6, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Thus, (9r,13r)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid is considered to be an octadecanoid lipid molecule (9r,13r)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (9r,13r)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid can be found in broad bean, which makes (9r,13r)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid a potential biomarker for the consumption of this food product. |
| Exact Mass | 266.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.188 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.38 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 6-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)/b5-3-/t13-,14-/m1/s1 |
| Smiles | CC/C=C\C[C@@H]1[C@@H](CCC1=O)CCCCCC(=O)O |
| Xlogp | 3.6 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C16H26O3 |
- 1. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all