alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/24:0)
Grundinformationen
- CAS
82005-99-0- Standard-SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC- InChIKey
MRVRZXMLIKCXOT-SHLWWNIASA-N- Summenformel
- C60H113NO18
- Durchschnittliche Molmasse
- 1.136,5 g/mol
Überblick
Alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/24:0) is a glycotriaosylceramide having alpha-D-galactosyl-(14)-beta-D-galactosyl-(14)-beta-D-glucosyl as the glycotriaosyl component attached to the Cer(d18:1/24:0). It has a role as a mouse metabolite. It is functionally related to a tetracosanoic acid.
Namen und Bezeichner
- Bevorzugter Name
- alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/24:0)
- IUPAC
- N-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
- Englischer Name
- (2S,3R,4E)-2-(Tetracosanoylamino)-1-[4-O-(4-O-α-D-galactopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranosyloxy]-4-octadecen-3-ol
- Summenformel
- C60H113NO18
- Molmasse
- 1136.54
Namen und Synonyme
GLOBOTRIAOSYLCERAMIDE PORCINEGb3(d18:1/24:0)alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/24:0)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0)Hex3Cer 42:1;O2LMSP0502AA05orb1693962Globotriaosylceramides (porcine)CHEBI:84695C60H113NO18AKOS040755104T36186
Weitere Namen anzeigen
(2S,3R,4E)-2-(Tetracosanoylamino)-1-[4-O-(4-O-α-D-galactopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranosyloxy]-4-octadecen-3-ol
Q27157995N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracosanamideN-[(E,1S,2R)-1-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2-hydroxy-heptadec-3-enyl]tetracosanamideN-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 11,3
- Polarare Oberfläche (TPSA)
- 307 Ų
- H-Brücken-Donoren
- 12
- H-Brücken-Akzeptoren
- 18
- Frei drehbare Bindungen
- 47
- Schwere Atome
- 79
- Formalladung
- 0
- Komplexität
- 1.500
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sphingolipids [SP] -> Neutral glycosphingolipids [SP05] -> Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502]
Physikochemische Eigenschaften
- Siedepunkt
- 1162.457 · 1162.457±65.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.191 · 1.191±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.76 · 12.760±0.70(predicted)
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