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Chemical structure of C2 Adamantanyl Globotriaosylceramide (d18:1/2:0)

GC43060

C2 Adamantanyl Globotriaosylceramide (d18:1/2:0)

Also known as 2-(1-adamantyl)-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]acetamide

C2 Adamantanyl globotriaosylceramide (AdaGb3) is a bioactive sphingolipid and water-soluble form of globotriaosylceramide that contains an adamantanyl group in place of the fatty acyl chain

ChemicalCAS261155-87-7MW962.2FormulaC48H83NO18
CAS number
261155-87-7
Molecular weight
962.2
Formula
C48H83NO18
Solubility
Soluble in DMSO
InChIKey
ATWPTPSAHLZMMT-ZFPSYUDWSA-N
Catalogue number
GC43060
Brand
GLPBIO
Computed properties PubChem CID 101011089 · XLogP 3 · TPSA 307 Ų · H-bond donors 12
XLogP
3
TPSA
307 Ų
H-bond donors
12
H-bond acceptors
18
Rotatable bonds
27
Heavy atoms
67

SMILES CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)NC(=O)CC45CC6CC(C4)CC(C6)C5)O

Computed descriptors from PubChem (CID 101011089), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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