(Q27157308)

C24 galactosylceramide sulfate (English)

9 October 2016

chemical formula

C₄₈H₉₂NO₁₁S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)[O-])O)C(C=CCCCCCCCCCCCCC)O

1 reference

C24 galactosylceramide sulfate (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)[O-])O)[C@@H](/C=C/CCCCCCCCCCCCC)O

1 reference

C24 galactosylceramide sulfate (English)

InChI=1S/C48H93NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h35,37,41-43,45-48,50-51,53-54H,3-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/p-1/b37-35+/t41-,42+,43+,45-,46+,47-,48?/m0/s1

9 October 2016

Identifiers

InChI

1 reference

C24 galactosylceramide sulfate (English)

MEAZTWJVOWHKJM-MDLODANTSA-M

9 October 2016

InChIKey

2 references

C24 galactosylceramide sulfate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,4E)-3-Hydroxy-2-(tetracosanoylamino)-4-octadecen-1-yl 3-O-sulfonato-D-galactopyranoside (English)

9 October 2016

1 reference

C24 galactosylceramide sulfate (English)

9 October 2016

ChEBI ID

83877

mapping relation type

1 reference