Grundinformationen
- Standard-SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCC(=O)O- InChIKey
HPFXACZRFJDURI-KTKRTIGZSA-N- Summenformel
- C20H37NO3
- Durchschnittliche Molmasse
- 339,5 g/mol
- Monoisotopische Masse
- 339,27734404
Überblick
N-oleoylglycine is a fatty acid derivative that is the 9Z-octadecenoyl derivative of glycine. It is believed to be an intermediate in oleamide biosynthesis. It has a role as a metabolite. It is a N-acylglycine 18:1 and a fatty amide. It is functionally related to an oleic acid. It is a conjugate acid of a N-oleoylglycinate.
Namen und Bezeichner
- Bevorzugter Name
- N-Oleoylglycine
- IUPAC
- 2-[[(Z)-octadec-9-enoyl]amino]acetic acid
- Lokaler Name
- (Z)-N-(1-Oxo-9-octadecenyl)glycin
- Englischer Name
- N-Oleoylglycine
- Summenformel
- C20H37NO3
- Molmasse
- 339.51
Namen und Synonyme
N-oleoylglycine2601-90-32-[[(Z)-octadec-9-enoyl]amino]acetic acidN-(9Z-octadecenoyl)-glycineCHEBI:73723EMA-1(Z)-N-(1-Oxo-9-octadecenyl)glycineDTXSID201317121728944BZ3B2-(((Z)-octadec-9-enoyl)amino)acetic acidRefChem:927301DTXCID001746938
Weitere Namen anzeigen
N-Oleoyl-Gly-OHOleoylglycine, N-N-Oleoylglycine >=98%N-Oleoyl glycine, 10 mM in DMSON-[(Z)-1-Oxo-9-octadecenyl]glycine
220-009-5N-oleoyl glycineoleoyl glycineoleoylglycine2-Oleamidoacetic acid2-[(9Z)-octadec-9-enamido]acetic acidGlycine, N-[(9Z)-1-oxo-9-octadecen-1-yl]-N-[(9Z)-octadec-9-enoyl]glycine
Datenbank-Bezeichner
- CAS
2601-90-3- PubChem CID
- 6436908
- DTXSID
DTXSID201317121- ChEMBL
CHEMBL226118- ChEBI
CHEBI:73723- UNII
- 728944BZ3B
- EC Number
- 220-009-5
- Nikkaji
- J192.110J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,6
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 340
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amino acids [FA0805]
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 77 · 77-78 °C
- Siedepunkt
- 525.6 · 525.6±43.0 °C(Predicted)
- Dichte
- 0.962 · 0.962±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- Löslichkeit
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 12 mg/ml; Ethanol: 12 mg/ml; Ethanol:PBS (pH 7.2) (1:4): 200 μg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 3.59 · 3.59±0.10(Predicted)
- Farbe
- White to off-white
- Kosmetik-Inhaltsstoffe Funktionen
- SURFACTANT - CLEANSING
- InChI
- 1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)/b10-9-
- InChIKey
- HPFXACZRFJDURI-KTKRTIGZSA-N
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(NCC(O)=O)=O
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anwendungen
BeschreibungN-Oleoyl glycine is a putative substrate for peptidyl glycine α-amidating enzyme in the biosynthesis of oleoyl amide.
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Ergänzende Hinweise
DefinitionChEBI: A fatty acid derivative that is the 9Z-octadecenoyl derivative of glycine.
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