Nervonic Acid
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Grundinformationen
- CAS
506-37-6- Standard-SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O- InChIKey
GWHCXVQVJPWHRF-KTKRTIGZSA-N- Summenformel
- C24H46O2
- Durchschnittliche Molmasse
- 366,6 g/mol
- Monoisotopische Masse
- 366,34978071
Überblick
(15Z)-tetracosenoic acid is a tetracosenoic acid having a cis-double bond at position 15. It is a conjugate acid of a (15Z)-tetracosenoate.
Namen und Bezeichner
- Bevorzugter Name
- Nervonic Acid
- IUPAC
- (Z)-tetracos-15-enoic acid
- Englischer Name
- Nervonic acid
- Summenformel
- C24H46O2
- Molmasse
- 366.62
Namen und Synonyme
Nervonic acid506-37-6(Z)-tetracos-15-enoic acidcis-15-tetracosenoic acid(Z)-15-Tetracosenoic acid(15Z)-Tetracosenoic acid15Z-tetracosenoic acid91OQS788BENevonic acidCHEBI:44247DTXSID80100930824:1(N-9)
Weitere Namen anzeigen
15-TETRACOSENOIC ACIDtetracosenic acidSELACHOLEIC ACIDselacholeicNervonic acicis-15-Teracosenoic acidneuro acidNeural acid
RefChem:43200Fatty Acid 24:1 n-9DTXCID60810889DTXSID40862068DTXCID001436135610-549-3Tetracos-15-enoic acid(15Z)-tetracos-15-enoic acid
Datenbank-Bezeichner
- CAS
506-37-6- PubChem CID
- 5281120
- DTXSID
DTXSID801009308- ChEMBL
CHEMBL1173379- ChEBI
CHEBI:44247- UNII
- 91OQS788BE
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 9,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 21
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 309
Experimentelle und physikochemische Eigenschaften
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physical DescriptionLiquid
Collision Cross Section
196.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
196.32 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
192.17 Ų [M-H]- [CCS Type: TIMS; Method: single field calibrated]
197.3 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 42 · 42-43 °C (lit.)
- Siedepunkt
- 459.84 °C · 459.84°C (rough estimate)
- Dichte
- 0.9009 · 0.9009 (rough estimate)
- Brechungsindex
- 1.4806 · 1.4806 (estimate)
- Flammpunkt
- 230 °F · >230 °F
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.
Warning
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Sicherheitsdaten
- F
- 8-10
- wgk
- 3
- hs_code
- 2916.19.3000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Anwendungen
BeschreibungNervonic acid, also known as shark oil acid, is a monounsaturated omega-9 fatty acid that exists in nerve tissue and fish oil. It was first discovered in shark brain and is a component of cerebroside, the main source of in shark brain and shark oil. It is also found in the sphingolipids of white matter in human brain.
OccurrenceNervonic acid is abundant in King Salmon ( Chinook ) with 140 mg/100g, yellow mustard seed 83 mg/100g , flax seed 64 mg/ 100g, Sockeye salmon 40 mg/100g, sesame seed 35mg/100g, and macademia nuts 18 mg/100g.
Darstellung
synthetischeNervonic acid was shown to be identical with selachaleic acid isolated from whale oils. It is obvious that nervonic acid is probably the cis form of erucylacetic acid. Erucylacetic acid has been prepared from erucyl alcohol through the bromide and malonic ester synthesis and has been shown to be identical with nervonic acid obtained from hydrolysis of the cerebroside isolated from human brains.Nervonic acid is also produced from oleic acid, that undergoes three consecutive chain elongation steps, catalyzed by elongases.Two carbon units are added in each step, with production of gadoleic acid, erucic acid, and finally, nervonic acid.
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