(Q27131617)

CHEBI:62121 (English)

7 October 2016

chemical formula

C₄₇H₈₈O₁₆S

1 reference

CHEBI:62121 (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCC(C)C(=O)OC1C(C(OC(C1OC(=O)CCCCCCCCCCCCCCC)OC2C(C(C(C(O2)CO)O)O)OS(=O)(=O)O)CO)O

1 reference

CHEBI:62121 (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)CO)O

1 reference

CHEBI:62121 (English)

InChI=1S/C47H88O16S/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-35(3)45(54)61-42-40(52)37(34-49)59-47(62-46-43(63-64(55,56)57)41(53)39(51)36(33-48)58-46)44(42)60-38(50)32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h35-37,39-44,46-49,51-53H,4-34H2,1-3H3,(H,55,56,57)/t35?,36-,37-,39-,40-,41+,42+,43-,44-,46-,47-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:62121 (English)

JKDUJLMQCDQDPP-TYJYIGFGSA-N

7 October 2016

InChIKey

2 references

CHEBI:62121 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-O-(2-Methyloctadecanoyl)-2-O-palmitoyl-alpha-D-glucopyranosyl 2-O-sulfo-alpha-D-glucopyranoside (English)

7 October 2016

1 reference

CHEBI:62121 (English)

7 October 2016

ChEBI ID

62121

mapping relation type

1 reference

Immune Epitope Database and Analysis Resource

3-O-(2-methyloctadecanoyl)-2-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose (English)

7 October 2016

1 reference

1 reference

IEDB Epitope ID

146681