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Chemical structure of Trihexosylceramide (d18:1/12:0)

GC77013

Trihexosylceramide (d18:1/12:0)

Also known as N-[(E,2S,3R)-1-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]dodecanamide

Trihexosylceramide (d18:1/12:0) is a type of Trihexosylceramide

ChemicalCAS474943-80-1MW806.08FormulaC42H79NO13
CAS number
474943-80-1
Molecular weight
806.08
Formula
C42H79NO13
Solubility
THF： 0·2 mg/mL (0·25 mM; Need ultrasonic)
InChIKey
KNWHKVBHCLQVFX-NKNVVQMUSA-N
Catalogue number
GC77013
Brand
GLPBIO
Computed properties PubChem CID 46891736 · XLogP 7 · TPSA 228 Ų · H-bond donors 9
XLogP
7
TPSA
228 Ų
H-bond donors
9
H-bond acceptors
13
Rotatable bonds
32
Heavy atoms
56

SMILES CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C(C([C@@H](C(O1)CO)O[C@H]2C(C([C@H](C(O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCC)O

Computed descriptors from PubChem (CID 46891736), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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