Eleostearic acid
PubChem CID: 12309425
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| Compound Synonyms | 9E,11Z,13E-octadecatrienoic acid, (9E,11Z,13E)-octadeca-9,11,13-trienoic acid, (E,Z,E)-9,11,13-octadecatrienoic acid, (E,Z,E)-octadeca-9,11,13-trienoic acid, Punicinic acid, Eleostearic acid, 9(Z),11(E),13(E)-Octadecatrienoic acid, 9t,11c,13t-CLnA, t9,c11,t13-CLnA, 9t,11c,13t-CLN, t9,c11,t13-CLN, 9t,11c,13t-linolenic acid, t9,c11,t13-linolenic acid, SCHEMBL1270812, CHEBI:38383, Octadeca-9t,11c,13t-triensaeure, octadeca-9t,11c,13t-trienoic acid, LMFA01030923, 9t,11c,13t-conjugated linolenic acid, t9,c11,t13-conjugated linolenic acid, C18:3 n-5 trans, 7 cis, 9 trans, 9trans,11-cis,13trans-octadecatrienoic acid, 9-trans,11-cis,13-trans-octadecatrienoic acid, Q27117716 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | Isolated from seed oil of Momordica charantia (bitter melon). alpha-Eleostearic acid is found in bitter gourd and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9E,11Z,13E)-octadeca-9,11,13-trienoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 6.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Lineolic acids and derivatives |
| Molecular Formula | C18H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUXYLFPMQMFGPL-MRZTUZPCSA-N |
| Fcsp3 | 0.6111111111111112 |
| Rotatable Bond Count | 13.0 |
| State | Solid |
| Synonyms | (9e,11Z,13e)-9,11,13-Octadecatrienoate, (9E,11Z,13E)-9,11,13-octadecatrienoic acid, (9E,11Z,13E)-octadeca-9,11,13-trienoic acid, (9Z,11E,13E)-9,11,13-Octadecatrienoic acid, (9Z,11E,13E)-Octadecatrienoic acid, (e,Z,e)-9,11,13-Octadecatrienoate, (E,Z,E)-9,11,13-octadecatrienoic acid, (E,Z,E)-octadeca-9,11,13-trienoic acid, 9-trans,11-cis,13-trans-Octadecatrienoate, 9-trans,11-cis,13-trans-Octadecatrienoic acid, 9,11,13-Octadecatrienoic acid, (E,Z,E)-, 9t,11c,13t-CLN, 9t,11c,13t-CLnA, 9t,11c,13t-Conjugated linolenate, 9t,11c,13t-Conjugated linolenic acid, 9t,11c,13t-Linolenate, 9t,11c,13t-Linolenic acid, 9trans,11-cis,13trans-Octadecatrienoate, 9trans,11-cis,13trans-Octadecatrienoic acid, a-Eleostearic acid, alpha-Eleostearic acid, C18:3 N-5 trans, 7 cis, 9 trans, Elaeomargarinic acid, Elaeostearinic acid, Margarolic acid, Octadeca-9t,11c,13t-trienoate, Octadeca-9t,11c,13t-trienoic acid, Octadeca-9t,11c,13t-triensaeure, t9,c11,t13-CLN, t9,c11,t13-CLnA, t9,c11,t13-Conjugated linolenate, t9,c11,t13-Conjugated linolenic acid, t9,c11,t13-Linolenate, t9,c11,t13-Linolenic acid, (9E,11Z,13E)-9,11,13-Octadecatrienoic acid, (e,Z,e)-9,11,13-Octadecatrienoic acid, 9t,11C,13t-CLN, 9t,11C,13t-CLnA, 9t,11C,13t-Conjugated linolenic acid, 9t,11C,13t-Linolenic acid, Octadeca-9t,11C,13t-trienoic acid, Octadeca-9t,11C,13t-triensaeure, t9,C11,t13-CLN, t9,C11,t13-CLnA, t9,C11,t13-Conjugated linolenic acid, t9,C11,t13-Linolenic acid, (9E,11Z,13E)-9,11,13-Octadecatrienoate, 9t,11C,13t-Conjugated linolenate, 9t,11C,13t-Linolenate, Octadeca-9t,11C,13t-trienoate, t9,C11,t13-Conjugated linolenate, t9,C11,t13-Linolenate, Punicate, (9Z,11E,13Z)-Octadeca-9,11,13-trienoic acid, cis-9,trans-11,cis-13-Octadecatrienoic acid, Eleostearic acid, Punicinic acid, Trichosanic acid, 9E,11Z,13E-Octadecatrienoate, 9,11,13-CLN, 9C,11t,13t-CLN, Eleostearic acid, (e,Z,e)-isomer, 9,11,13-Octadecatrienoic acid, 9cis,11trans,13trans-Conjugated linolenic acid, Eleostearic acid, (e,e,e)-isomer, 9,11,13-Conjugated linolenic acid, Eleostearic acid, (Z,e,e)-isomer, Eleostearic acid, (Z,Z,e)-isomer, a-Eleostearate, alpha-Eleostearate, Α-eleostearate, Α-eleostearic acid |
| Compound Name | Eleostearic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 278.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -4.872603199999999 |
| Inchi | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7-,10-9+ |
| Smiles | CCCC/C=C/C=C\C=C\CCCCCCCC(=O)O |
| Defined Bond Stereocenter Count | 3.0 |
| Taxonomy Direct Parent | Lineolic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all