Gondoic Acid
PubChem CID: 5282768
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| Compound Synonyms | cis-11-eicosenoic acid, gondoic acid, 5561-99-9, (Z)-icos-11-enoic acid, 11-Eicosenoic acid, cis-gondoic acid, 11Z-eicosenoic acid, 11-Icosenoic acid, cis-11-icosenoic acid, (11Z)-icos-11-enoic acid, (11Z)-Icosenoic acid, (11Z)-Eicosenoic acid, (Z)-eicos-11-enoic acid, (Z)-Icosa-11-enoic acid, Icosenoic acid, (11Z)-11-Eicosenoic acid, 11-cis-eicosenoic acid, UDX6WPL94T, FA 20:1, Z-Delta(11)-Eicosensaeure, cis-Delta11-eicosenoic acid, cis-Delta(11)-eicosenoic acid, CHEMBL4640620, 20:1(n-9), CHEBI:32425, 11-Eicosenoic acid, (11Z)-, 11-EICOSENOIC ACID, CIS, (Z)-11-EICOSENOIC ACID, (11Z)-11-Eicosenoic Acid, , C20:1n-9, (Z)-11-Eicosenoic Acid, cis-11-Eicosenoic acid, UNII-UDX6WPL94T, eicosenoate, iconsenoic acid, icosenoic acids, cis-Gondoate, eicosenoic acids, 11-Eicosenoate, 11Z-Eicosenoate, 11-cis-eicosenoate, cis-11-Icosenoate, cis-11-Eicosenoate, MFCD00010506, 11(Z)-eicosenoate, Cis-icos-11-enoic, 11(Z)-eicosenoic acid, (Z)-icos-11-enoicacid, (Z)-11-Eicosenic acid, cis-11-Eicosenoic acid?, Fatty Acid 20:1 n-9, C20:1 n-9 cis, SCHEMBL148672, DTXSID30970949, BDBM50541547, LMFA01030085, AKOS027320496, CIS-.DELTA.11-EICOSENOIC ACID, CS-W013958, DB14073, HY-W013242, 20:1n9, AS-57724, FA(20:1(11Z)), C20:1, cis-11-Eicosenoic acid, analytical standard, NS00070376, E77605, cis-11-Eicosenoic acid, >=99% (capillary GC), Q416618 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CCCCCCCC/C=CCCCCCCCCCC=O)O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of rape oil and fish oils as glycerideand is also in other plant oils, e.g. false flax (Camelina sativa), and swede (Brassica napobrassica) Eicosenoic acid is a monounsaturated omega-9 fatty acid found in a variety of plant oils. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18031 |
| Iupac Name | (Z)-icos-11-enoic acid |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Target Id | NPT178 |
| Xlogp | 7.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BITHHVVYSMSWAG-KTKRTIGZSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.85 |
| Logs | -3.238 |
| Rotatable Bond Count | 17.0 |
| State | Solid |
| Logd | 3.704 |
| Synonyms | (11Z)-Eicosenoate, (11Z)-Eicosenoic acid, (11Z)-Icos-11-enoate, (11Z)-Icos-11-enoic acid, (11Z)-Icosenoate, (11Z)-Icosenoic acid, (Z)-11-Eicosenic acid, (Z)-Eicos-11-enoate, (Z)-Eicos-11-enoic acid, (Z)-Icosa-11-enoate, (Z)-Icosa-11-enoic acid, 11-cis-Eicosenoate, 11-cis-Eicosenoic acid, 11-Eicosenoate, 11-Eicosenoic acid, 11-Icosenoate, 11-Icosenoic acid, 11(Z)-Eicosenoate, 11(Z)-Eicosenoic acid, 11Z-Eicosenoate, 11Z-Eicosenoic acid, 20:1, 20:1(N-9), 20:1N9, cis-11-Eicosenoate, cis-11-Eicosenoic acid, cis-11-Icosenoate, cis-11-Icosenoic acid, cis-delta(11)-Eicosenoate, cis-Delta(11)-Eicosenoic acid, cis-Gondoate, cis-Gondoic acid, cis-δ(11)-eicosenoate, cis-δ(11)-eicosenoic acid, Eicosenoate, Eicosenoic acid, Gondoate, Gondoic acid, Icosenoic acid, Z-Delta(11)-Eicosensaeure, Z-δ(11)-eicosensaeure, (Z)-Icos-11-enoic acid, (Z)-Icos-11-enoate, cis-Δ(11)-eicosenoate, cis-Δ(11)-eicosenoic acid, Z-Δ(11)-eicosensaeure, 20:1n9, FA(20:1(11Z)), 3,7,11,12,15,13-Hexaoxolanost-8-en-26-Oic acid, 3,7,11,12,15,23-hexanoxo-5alpha-Lanosta-8-en-26-Oic acid, 3,7,11,12,15,23-hexaoxo-(25R)-Lanost-8-en-26-Oic acid, 2-Methyl-4-oxo-6-{2,6,6,11,15-pentamethyl-5,9,12,16,17-pentaoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoate, 3,7,11,12,15,23-Hexanoxo-5 alpha-lanosta-8-en-26-Oic acid, Ganosporeric acid a, Ganosporerate a, FA(20:1n9), (11Z)-11-Eicosenoic acid, (Z)-11-Eicosenoic acid, cis-delta11-Eicosenoic acid, cis-Δ11-Eicosenoic acid, cis-11-eicosenoic acid |
| Substituent Name | Long-chain fatty acid, Unsaturated fatty acid, Straight chain fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=CC, CC(=O)O |
| Compound Name | Gondoic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -6.136836400000001 |
| Inchi | InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9- |
| Smiles | CCCCCCCC/C=C\CCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
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