11,14,17-Eicosatrienoic acid
PubChem CID: 5312529
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| Compound Synonyms | 17046-59-2, Dihomolinolenic acid, (11Z,14Z,17Z)-Icosa-11,14,17-trienoic acid, 11,14,17-Eicosatrienoic acid, all-cis-icosa-11,14,17-trienoic acid, (Z,Z,Z)-11,14,17-Eicosatrienoic acid, 11,14,17-Icosatrienoic acid, Eicosatrienoic acid, Icosatrienoic acid, 11,14,17-Eicosatrienoicacid, (11Z,14Z,17Z)-, Bishomo-alpha-linolenic acid, 11c,14c,17c-eicosatrienoic acid, 11Z,14Z,17Z-Eicosatrienoic acid, eicosa-11Z,14Z,17Z-trienoic acid, all-cis-11,14,17-eicosatrienoic acid, (11Z,14Z,17Z)-Eicosa-11,14,17-trienoic acid, CHEMBL453991, cis,cis,cis-11,14,17-Eicosatrienoic acid, 11(Z),14(Z),17(Z)-Eicosatrienoic acid, 11,14,17-Eicosatrienoic acid, (Z,Z,Z)-, CHEBI:53460, 11c,14c,17c-Eicosatriensaeure, 11,14,17-eicosatrienoic acid, (11Z,14Z,17Z)-, ETrE(11Z, 14Z, 17Z), all-cis-Eicosa-11,14,17-triensaeure, all-cis-eicosa-11,14,17-trienoic acid, EICOSATRIENOIC ACID (20:3 n-3), cis-11,14,17-EICOSATRIENOIC ACID, C20:3n-3,6,9, 2091-27-2, (all-cis)-11,14,17-Eicosatrienoic acid, Homo-alpha-linolenic acid, Dihomo-alpha-linolenic acid, SCHEMBL25423, BSPBio_001330, BML3-B10, BCBcMAP01_000183, DTXSID60920492, HMS1361C12, HMS1791C12, HMS1989C12, HMS3402C12, HMS3649F19, 20:3, n-3,6,9 all-cis, Cis-11,14,17-Eicosatrienoicacid, C20:3, n-3,6,9 all-cis, BDBM50269535, LMFA01030378, Eicosatrienoic Acid (11Z,14Z,17Z), HY-108398B, IDI1_033800, NCGC00161349-01, NCGC00161349-02, NCGC00161349-03, AS-82074, PD020548, 11-cis,14-cis,17-cis-Eicosatrienoic acid, CS-0084121, NS00096664, (all-cis)-Delta11,14,17-Eicosatrienoic acid, G78247, (11z,14z,17z)-11,14,17-icosatrienoic acid, SR-01000946655, 11,14,17-eicosatrienoicacid,(11Z,14Z,17Z)-, SR-01000946655-1, 11,14,17-Eicosatrienoic acid, (Z,Z,Z)- (8CI), BRD-K63913457-001-02-7, Q27124062, 11,14,17-Eicosatrienoic acid, (11Z,14Z,17Z)- (9CI) |
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| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Dihomolinolenic acid, also known as 11,14,17-eicosatrienoic acid or (11z,14z,17z)-eicosa-11,14,17-trienoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, dihomolinolenic acid is considered to be a fatty acid lipid molecule. Dihomolinolenic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Dihomolinolenic acid can be found in evening primrose, which makes dihomolinolenic acid a potential biomarker for the consumption of this food product. Dihomolinolenic acid can be found primarily in blood and feces. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P13726, P00761, Q8TDS5, P27695 |
| Iupac Name | (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Target Id | NPT4030 |
| Xlogp | 6.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AHANXAKGNAKFSK-PDBXOOCHSA-N |
| Fcsp3 | 0.65 |
| Logs | -3.02 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.722 |
| Synonyms | (11Z,14Z,17Z)-Eicosa-11,14,17-trienoic acid, (11Z,14Z,17Z)-Icosa-11,14,17-trienoic acid, (Z,Z,Z)-11,14,17-Eicosatrienoic acid, 11,14,17-Eicosatrienoic acid, 11,14,17-Icosatrienoic acid, 11C,14C,17C-Eicosatrienoic acid, 11C,14C,17C-Eicosatriensaeure, 20:3, N-3,6,9 all-cis, all-cis-11,14,17-Eicosatrienoic acid, all-cis-Eicosa-11,14,17-trienoic acid, all-cis-Eicosa-11,14,17-triensaeure, C20:3, N-3,6,9 all-cis, cis,cis,cis-11,14,17-Eicosatrienoic acid, Eicosa-11Z,14Z,17Z-trienoic acid, Eicosatrienoic acid, ETA, ETE, (11Z,14Z,17Z)-Eicosa-11,14,17-trienoate, (11Z,14Z,17Z)-Icosa-11,14,17-trienoate, (Z,Z,Z)-11,14,17-Eicosatrienoate, 11,14,17-Eicosatrienoate, 11,14,17-Icosatrienoate, 11C,14C,17C-Eicosatrienoate, all-cis-11,14,17-Eicosatrienoate, all-cis-Eicosa-11,14,17-trienoate, cis,cis,cis-11,14,17-Eicosatrienoate, Eicosa-11Z,14Z,17Z-trienoate, Eicosatrienoate, Dihomo-a-linolenate, Dihomo-a-linolenic acid, Dihomo-alpha-linolenate, Dihomo-α-linolenate, Dihomo-α-linolenic acid, Dihomolinolenate, 11,14,17-Eicosatrienoic acid, (Z,Z,Z)-isomer, Bishomo-a-linolenate, Bishomo-a-linolenic acid, Bishomo-alpha-linolenate, Bishomo-α-linolenate, Bishomo-α-linolenic acid, Bishomo-alpha-linolenic acid, Dihomo-linolenate, Dihomo-linolenic acid, Dihomolinolenic acid, FA(20:3(11Z,14Z,17Z)), FA(20:3n3), Homo-alpha-linolenic acid, Homo-α-linolenic acid, Dihomo-alpha-linolenic acid |
| Compound Name | 11,14,17-Eicosatrienoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -5.500438 |
| Inchi | InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9- |
| Smiles | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
| Taxonomy Direct Parent | Long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Lanatus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Carthamus Oxyacantha (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Oenothera Biennis (Plant) Rel Props:Source_db:fooddb_chem_all