(Q27157697)

English

2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose(1-)

chemical compound

In more languages

Statements

type of chemical entity

0 references

1-stearoyl 2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

1,458.078369±0 dalton

1 reference

language of work or name

6-O-Stearoyl-2-O-sulfonato-alpha-D-glucopyranosyl 2-O-palmitoyl-3,6-di-O-stearoyl-alpha-D-glucopyranoside (English)

9 October 2016

chemical formula

C₈₂H₁₅₃O₁₈S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1(C(C(C(C(O1)(OC2(C(C(C(C(COC(CCCCCCCCCCCCCCCCC)=O)(O2)[H])(O)[H])(OC(CCCCCCCCCCCCCCCCC)=O)[H])(OC(CCCCCCCCCCCCCCC)=O)[H])[H])[H])(OS([O-])(=O)=O)[H])(O)[H])(O)[H])[H]

1 reference

language of work or name

2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose(1-) (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1([C@]([C@@]([C@]([C@](O1)(O[C@@]2([C@@]([C@]([C@@]([C@@](COC(CCCCCCCCCCCCCCCCC)=O)(O2)[H])(O)[H])(OC(CCCCCCCCCCCCCCCCC)=O)[H])(OC(CCCCCCCCCCCCCCC)=O)[H])[H])[H])(OS([O-])(=O)=O)[H])(O)[H])(O)[H])[H]

1 reference

language of work or name

2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose(1-) (English)

9 October 2016

Identifiers

InChI=1S/C82H154O18S/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-71(83)93-67-69-75(87)77(89)79(100-101(90,91)92)81(95-69)99-82-80(98-74(86)66-62-58-54-50-45-39-32-28-24-20-16-12-8-4)78(97-73(85)65-61-57-53-49-46-42-38-35-31-27-23-19-15-11-7-3)76(88)70(96-82)68-94-72(84)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h69-70,75-82,87-89H,5-68H2,1-4H3,(H,90,91,92)/p-1/t69-,70-,75-,76-,77+,78+,79-,80-,81-,82-/m1/s1

1 reference

based on heuristic

inferred from SMILES

DFRNWNHASOQNJG-ORLFPALOSA-M

2 references

language of work or name

2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose(1-) (English)

9 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

6-O-Stearoyl-2-O-sulfonato-alpha-D-glucopyranosyl 2-O-palmitoyl-3,6-di-O-stearoyl-alpha-D-glucopyranoside (English)

9 October 2016

2 references

26 December 2021

matched by identifier from

DFRNWNHASOQNJG-ORLFPALOSA-M

mapping relation type

2 references

language of work or name

2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose(1-) (English)

9 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C82H154O18S/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-71(83)93-67-69-75(87)77(89)79(100-101(90,91)92)81(95-69)99-82-80(98-74(86)66-62-58-54-50-45-39-32-28-24-20-16-12-8-4)78(97-73(85)65-61-57-53-49-46-42-38-35-31-27-23-19-15-11-7-3)76(88)70(96-82)68-94-72(84)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h69-70,75-82,87-89H,5-68H2,1-4H3,(H,90,91,92)/p-1/t69-,70-,75-,76-,77+,78+,79-,80-,81-,82-/m1/s1

UniChem compound ID

1 reference

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