Alpha-Galactosylceramide
N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide
Molecular Identity
Alpha-Galactosylceramide
N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide
PubChem CID: 2826713
1-O-(alpha-D-galactosyl)-N-hexacosanoylphytosphingosine is a glycophytoceramide having an alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. It has a role as an antineoplastic agent, an immunological adjuvant, an allergen, an epitope and an antigen. It is a N-acyl-beta-D-galactosylphytosphingosine and a glycophytoceramide. It is functionally related to an alpha-D-galactose.
2D Structure
Properties
C50H99NO9
Molecular Formula
858.30
Molecular Weight
g/mol
857.7320
Exact Mass
Da
16
XLogP
Above Lipinski threshold
169
TPSA
May have limited oral absorption
7
H-Bond Donors
9
H-Bond Acceptors
928
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)OIsomeric SMILES
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)OSynonyms(20)
alpha-Galactosylceramidealpha-GalCeralpha-Galactosyl CeramideDTXSID40935847CHEBI:466659WX671898JFRGI-7000a-GalCerCHEBI:132148N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamideN-((2S,3S,4R)-3,4-dihydroxy-1-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoctadecan-2-yl)hexacosanamideAlpha GalactosylceramideRefChem:794363DTXCID601766457973-258-3
Data from PubChem (NCBI)
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