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Myristoleic Acid

PubChem CID: 5281119

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Compound Synonyms Myristoleic acid, 544-64-9, (Z)-Tetradec-9-enoic acid, cis-9-tetradecenoic acid, 9-Tetradecenoic acid, (9Z)-, 9Z-tetradecenoic acid, 9-Tetradecenoic acid, (9Z)-tetradec-9-enoic acid, 9-cis-Tetradecenoic acid, (z)-9-tetradecenoic acid, 9-Tetradecenoic acid, (Z)-, CHEBI:27781, cis-Delta(9)-tetradecenoic acid, Z-9-Tetradecenoic acid, (9Z)-Tetradecenoic acid, EINECS 208-876-8, FA 14:1, UNII-RF23WGD123, CHEMBL456732, RF23WGD123, DTXSID5041568, MFCD00004436, FA(14:1(9Z)), (9Z)-tetradecenoate, 14:1(N-5), Myristolenic acid, Oleomyristic acid, Myristolic acid, tetradec-9-enoate, cis-Tetradec-9-enoate, Myristoleic acid, 99%, Z-tetradec-9-enoic acid, (Z)-9-Tetradecenoicacid, 9(Z)-Tetradecenoic acid, cis-tetradec-9-enoic acid, Fatty Acid 14:1 n-5, Tetradecenoic acid (cis-9), (9Z)-9-Tetradecenoic acid, SCHEMBL109270, DTXCID3021568, AAA54464, FA(14:1n5), BDBM50269530, LMFA01030051, Myristoleic acid, analytical standard, AKOS037645073, CIS-.DELTA.9-TETRADECENOIC ACID, AS-56816, DA-55798, Myristoleic acid, >=99% (capillary GC), HY-113332, CS-0059626, NS00020426, C08322, G12044, Q58221, 208-876-8
Ghose Rule True
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 CCCC/C=CCCCCCCCC=O)O
Heavy Atom Count 16.0
Classyfire Class Fatty acyls
Description Occurs in natural fats, e.g. Cottonseed oil Myristoleic acid is a monounsaturated fatty acid that represent approximately 0.3 - 0.7% of the total fatty acid composition of adipose tissue triacylglycerol in human. (PMID 10393134), It has been suggested that his cytotoxic and effective cell death inducer activity could be used for the treatment of prostate cancer. (PMID 11304730), Myristoleic acid, or 9-tetradecenoic acid, is an omega-5 fatty acid. It is biosynthesized from myristic acid by the enzyme delta-9 desaturase, but it is uncommon in nature. One of the major sources of this fatty acid is the seed oil from plants of the genus Myristicaceae, comprising up to 30 per cent of the oil in some species. Myristoleic acid is found in many foods, some of which are garfish, wheat, soup, and ginger.
Classyfire Subclass Fatty acids and conjugates
Isotope Atom Count 0.0
Molecular Complexity 185.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P13726, P00761
Iupac Name (Z)-tetradec-9-enoic acid
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 5.1
Superclass Lipids and lipid-like molecules
Subclass Fatty acids and conjugates
Gsk 4 400 Rule False
Molecular Formula C14H26O2
Prediction Swissadme 0.0
Inchi Key YWWVWXASSLXJHU-WAYWQWQTSA-N
Silicos It Class Soluble
Fcsp3 0.7857142857142857
Logs -3.346
Rotatable Bond Count 11.0
State Solid
Logd 2.736
Synonyms (9Z)-9-Tetradecenoic acid, (9Z)-tetradec-9-enoate, (9Z)-tetradec-9-enoic acid, (9Z)-Tetradecenoate, (9Z)-Tetradecenoic acid, (Z)-Tetradec-9-enoate, (Z)-Tetradec-9-enoic acid, 9-Tetradecenoate, 9-Tetradecenoic acid, 9-Tetradecenoic acid, (9Z)-, 9-Tetradecenoic acid, (Z)-, 9Z-tetradecenoate, 9Z-tetradecenoic acid, cis-9-tetradecenoate, cis-9-tetradecenoic acid, cis-Delta(9)-tetradecenoate, cis-Delta(9)-tetradecenoic acid, cis-Tetradec-9-enoate, cis-Tetradec-9-enoic acid, cis-δ(9)-tetradecenoate, cis-δ(9)-tetradecenoic acid, Myristoleate, Myristoleic acid, Z-9-Tetradecenoic acid, 9Z-Tetradecenoic acid, cis-9-Tetradecenoic acid, cis-Delta(9)-Tetradecenoic acid, 9Z-Tetradecenoate, cis-9-Tetradecenoate, cis-delta(9)-Tetradecenoate, cis-Δ(9)-tetradecenoate, cis-Δ(9)-tetradecenoic acid, (9Z)-Tetradec-9-enoate, (9Z)-Tetradec-9-enoic acid, (Z)-9-Tetradecenoic acid, 9(Z)-Tetradecenoic acid, 9-cis-Tetradecenoic acid, FA(14:1(9Z)), FA(14:1n5), Myristolenic acid, Oleomyristic acid, cis-delta9-Tetradecenoic acid, cis-Δ9-Tetradecenoic acid, myristoleic 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 Soluble
Functional Groups C/C=CC, CC(=O)O
Compound Name Myristoleic Acid
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 226.193
Formal Charge 0.0
Monoisotopic Mass 226.193
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 226.35
Gi Absorption True
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 -3.9824319999999993
Inchi InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
Smiles CCCC/C=C\CCCCCCCC(=O)O
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Taxonomy Direct Parent Long-chain fatty acids
Np Classifier Superclass Fatty Acids and Conjugates

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