Stearidonic Acid
PubChem CID: 5312508
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| Compound Synonyms | Stearidonic acid, 20290-75-9, Moroctic acid, (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid, (6Z,9Z,12Z,15Z)-Octadecatetraenoic acid, 6,9,12,15-Octadecatetraenoic acid, (6Z,9Z,12Z,15Z)-, Morotic acid, 6Z,9Z,12Z,15Z-octadecatetraenoic acid, UNII-P4CEK3495O, 6,9,12,15-Octadecatetraenoic acid, CHEBI:32389, all-cis-6,9,12,15-Octadecatetraenoic acid, stearidonic acid C18:4, STEARIDONIC ACID [MI], P4CEK3495O, C18:4n-3,6,9,12, 6,9,12,15-octadecatetraenoate, DTXSID20920493, STEARIDONIC ACID [WHO-DD], MOROCTIC ACID (C18:4 N3), FA 18:4, all-cis-octadeca-6,9,12,15-tetraenoic acid, FA(18:4(6Z,9Z,12Z,15Z)), .DELTA.6,9,12,15-OCTADECATETRAENOIC ACID, 111174-40-4, parinarate, all-cis-6,9,12,15-Octadecatetraenoic acid Solution in Methanol, 100ug/mL, 6cis Stearidonic acid, Stearidonic acid, >=99%, PARINARIC ACID [MI], SCHEMBL29226, CHEMBL484430, DTXCID501349400, HMS3649J17, 9,11,13,15-Octadecatetraenoate, FA(18:4n3), LMFA01030357, MSK1783-100M, 6Z,9Z,12Z,15Z-Octadecatetraenoate, AKOS040735398, NCGC00344331-01, 1ST1783-100M, AS-80602, FO159115, HY-113120, NS00010575, 6Z, 9Z, 12Z, 15Z- octadecatetraenoic acid, DELTA6,9,12,15-OCTADECATETRAENOIC ACID, SR-01000946667, 6(Z),9(Z),12(Z),15(Z)-Octadecatetraenoic acid, Q2739877, SR-01000946667-1, STEARIDONIC (MOROCTIC) ACID (C18:4) (CONSTITUENT OF KRILL OIL) |
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| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | Steridonic acid, also known as (6z,9z,12z,15z)-octadecatetraenoic acid or stearidonate, belongs to lineolic acids and derivatives class of compounds. Those are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Thus, steridonic acid is considered to be a fatty acid lipid molecule. Steridonic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Steridonic acid can be found in borage, which makes steridonic acid a potential biomarker for the consumption of this food product. Steridonic acid can be found primarily in blood and feces. In humans, steridonic acid is involved in the alpha linolenic acid and linoleic acid metabolism. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O95864 |
| Iupac Name | (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 5.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Lineolic acids and derivatives |
| Molecular Formula | C18H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JIWBIWFOSCKQMA-LTKCOYKYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.955 |
| Rotatable Bond Count | 12.0 |
| State | Liquid |
| Logd | 2.393 |
| Synonyms | (6Z,9Z,12Z,15Z)-Octadecatetraenoic acid, 6,9,12,15-Octadecatetraenoic acid, SDA, 6Z,9Z,12Z,15Z-Octadecatetraenoic acid, (6Z,9Z,12Z,15Z)-Octadeca-6,9,12,15-tetraenoic acid, (6Z,9Z,12Z,15Z)-Octadecatetraenoate, 6,9,12,15-Octadecatetraenoate, 6Z,9Z,12Z,15Z-Octadecatetraenoate, (6Z,9Z,12Z,15Z)-Octadeca-6,9,12,15-tetraenoate, Stearidonate, Stearidonic acid C18:4, FA(18:4(6Z,9Z,12Z,15Z)), FA(18:4n3), Moroctic acid |
| Compound Name | Stearidonic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 276.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -4.044104 |
| Inchi | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12- |
| Smiles | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 4.0 |
| Taxonomy Direct Parent | Lineolic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Borago Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all