(Q27158497)

CHEBI:85345 (English)

9 October 2016

chemical formula

C₄₆H₈₆O₁₆S

1 reference

CHEBI:85345 (English)

9 October 2016

canonical SMILES

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

1 reference

CHEBI:85345 (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCC(=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:85345 (English)

Mycobacterium tuberculosis

9 October 2016

found in taxon

1 reference

stated in

Elucidation and chemical modulation of sulfolipid-1 biosynthesis in Mycobacterium tuberculosis

Identifiers

InChI

InChI=1S/C46H86O16S/c1-3-5-7-9-11-13-15-17-18-20-22-23-25-27-29-31-37(49)59-42-40(52)36(34-48)58-46(61-45-43(62-63(54,55)56)41(53)39(51)35(33-47)57-45)44(42)60-38(50)32-30-28-26-24-21-19-16-14-12-10-8-6-4-2/h35-36,39-48,51-53H,3-34H2,1-2H3,(H,54,55,56)/t35-,36-,39-,40-,41+,42+,43-,44-,45-,46-/m1/s1

1 reference

CHEBI:85345 (English)

XNPWCOIPZGRNBQ-HUWVXOONSA-N

9 October 2016

InChIKey

2 references

CHEBI:85345 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-O-Palmitoyl-3-O-stearoyl-alpha-D-glucopyranosyl 2-O-sulfo-alpha-D-glucopyranoside (English)

9 October 2016

2 references

CHEBI:85345 (English)

matched by identifier from

9 October 2016

InChIKey

XNPWCOIPZGRNBQ-HUWVXOONSA-N

ChEBI ID

85345

mapping relation type

2 references

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