(Q27157313)

C20 GalactosylCeramide sulfate (English)

9 October 2016

chemical formula

C₄₄H₈₄NO₁₁S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

C20 GalactosylCeramide sulfate (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=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

C20 GalactosylCeramide sulfate (English)

InChI=1S/C44H85NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-54-44-42(50)43(56-57(51,52)53)41(49)39(35-46)55-44/h31,33,37-39,41-44,46-47,49-50H,3-30,32,34-36H2,1-2H3,(H,45,48)(H,51,52,53)/p-1/b33-31+/t37-,38+,39+,41-,42+,43-,44?/m0/s1

9 October 2016

Identifiers

InChI

1 reference

C20 GalactosylCeramide sulfate (English)

AURCBSWGPREGRQ-AQNFZCBMSA-M

9 October 2016

InChIKey

2 references

C20 GalactosylCeramide sulfate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

9 October 2016

1 reference

C20 GalactosylCeramide sulfate (English)

9 October 2016

ChEBI ID

83890

mapping relation type

1 reference