(20R)-20-[(3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heneicosanoic acid
Grundinformationen
- CAS
1355681-91-2- Standard-SMILES
C[C@H](CCCCCCCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O- InChIKey
NISHIBVYPLRXFI-VYXBAIFMSA-N- Summenformel
- C27H52O6
- Durchschnittliche Molmasse
- 472,7 g/mol
- Monoisotopische Masse
- 472,37638937
Überblick
Ascr#38 is an (1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (20R)-20-hydroxyhenicosanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It is functionally related to a (20R)-20-hydroxyhenicosanoic acid. It is a conjugate acid of an ascr#38(1-).
Namen und Bezeichner
- Bevorzugter Name
- (20R)-20-[(3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heneicosanoic acid
- IUPAC
- (20R)-20-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhenicosanoic acid
Namen und Synonyme
1355681-91-2(20R)-20-((3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy)heneicosanoic acid(20R)-20-[(3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heneicosanoic acidRefChem:206332ascr#38(20R)-20-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]henicosanoic acidCHEBI:78976DTXSID401151082LMFA13040016Q2714806320R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-heneicosanoic acid(20R)-20-[(3,6-Dideoxy-I+/--L-arabino-hexopyranosyl)oxy]heneicosanoic acid
Weitere Namen anzeigen
20R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-henicosanoic acid20R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-henicosenoic acid
Datenbank-Bezeichner
- CAS
1355681-91-2- PubChem CID
- 86289709
- DTXSID
DTXSID401151082- ChEBI
CHEBI:78976
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8
- Polarare Oberfläche (TPSA)
- 96,2 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 21
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 472
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty acyl glycosides [FA13] -> Ascarosides [FA1304]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…