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Chemical structure of C18 3'-sulfo Lactosylceramide (d18:1/18:0)

GC40140

C18 3'-sulfo Lactosylceramide (d18:1/18:0)

Also known as [(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

C18 3'-sulfo Lactosylceramide (d18:1/18:0) is a sulfated glycosphingolipid

ChemicalCAS1292769-63-1MW970.3FormulaC48H91NO16S
CAS number
1292769-63-1
Molecular weight
970.3
Formula
C48H91NO16S
Solubility
Chloroform：Methanol：DI Water (2：1：0·1)： soluble
InChIKey
JMXDOGIVEGVEOO-SFAIZGPWSA-N
Catalogue number
GC40140
Brand
GLPBIO
Computed properties PubChem CID 155905536 · XLogP 9.8 · TPSA 280 Ų · H-bond donors 9
XLogP
9.8
TPSA
280 Ų
H-bond donors
9
H-bond acceptors
16
Rotatable bonds
40
Heavy atoms
66

SMILES CCCCCCCCCCCCCCCCCC(=O)N[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)OS(=O)(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

Computed descriptors from PubChem (CID 155905536), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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