6,9,12-Octadecatrienoic acid, methyl ester, (6Z,9Z,12Z)-
PubChem CID: 6439889
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| Compound Synonyms | 16326-32-2, Methyl gamma-linolenate, gamma-Linolenic acid methyl ester, methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate, methyl GLA, (6Z,9Z,12Z)-Methyl octadeca-6,9,12-trienoate, 6,9,12-Octadecatrienoic acid, methyl ester, (6Z,9Z,12Z)-, Methyl (Z,Z,Z)-6,9,12-octadecatrienoate, all-cis-6,9,12-Octadecatrienoic acid methyl ester, Fame 18:3n-6, 6,9,12-Octadecatrienoic acid, methyl ester, (Z,Z,Z)-, ?-Linolenic acid, methyl ester (7CI,8CI), Methyl all-cis-6,9,12-octadecatrienoate, Methyl octadeca-6,9,12-trienoate, Methyl ?-linolenate, MFCD00010455, Methyl-gama-linolenate, Methyl gamma -Linolenate, SCHEMBL7170526, 6,9,12-Octadecatrienoic acid, methyl ester, (Z,Z,Z)-, CHEBI:144354, DTXSID901344802, gamma.-Linolenic acid methyl ester, HMS3649L20, HY-W009276R, omega-6 Linolenic acid methyl ester, .gamma.-Linolenic acid, methyl ester, AKOS025311588, CS-W009992, FM41814, HY-W009276, Methyl gamma-linolenate, >=99% (GC), AC-33778, AS-70117, BP-29876, DA-55412, , A-Linolenic Acid methyl ester (Standard), 6,9,12-Octadecatrienoic acid methyl ester, C18:3 (all cis-6,9,12) methyl ester, Methyl 6(Z),9(Z),12(Z)-Octadecatrienoate, A12124, (6Z,9Z,12Z)-Methyloctadeca-6,9,12-trienoate, SR-01000946739, SR-01000946739-1, Q63409034, (6Z,9Z,12Z)-6,9,12-octadecatrienoic acid methyl ester, (Z,Z,Z)-6,9,12-OCTADECATRIENOIC ACID METHYL ESTER, C19H32O2 (cis-octadeca-6,9,12-trienoic acid methyl ester) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Other Eicosanoids |
| Deep Smiles | CCCCC/C=CC/C=CC/C=CCCCCC=O)OC |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Lineolic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JFRWATCOFCPIBM-JPFHKJGASA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.631578947368421 |
| Logs | -3.338 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.837 |
| Synonyms | gamma-linolenic acid methyl ester |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 6,9,12-Octadecatrienoic acid, methyl ester, (6Z,9Z,12Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 292.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.591170599999999 |
| Inchi | InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7-,11-10-,14-13- |
| Smiles | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | True |
| Np Classifier Superclass | Eicosanoids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Momordica Dioica (Plant) Rel Props:Reference:ISBN:9770972795006