(Q27159851)

English

dihydroxy mycolate

chemical compound

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type of chemical entity

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subclass of

dihydroxy mycolic acid

1 reference

based on heuristic

inferred from InChIKey

mass

1,210.2400372119098 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₈₂H₁₆₁O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)O)O)C(=O)[O-]

1 reference

language of work or name

English

title

CHEBI:87706 (English)

retrieved

9 October 2016

Identifiers

InChI

InChI=1S/C82H162O4/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-29-36-42-48-54-60-66-72-79(82(85)86)81(84)74-68-62-56-50-44-38-30-26-28-34-40-46-52-58-64-70-77-75-78(77)71-65-59-53-47-41-35-31-32-37-43-49-55-61-67-73-80(83)76(3)69-63-57-51-45-39-33-27-21-19-17-15-13-11-9-7-5-2/h76-81,83-84H,4-75H2,1-3H3,(H,85,86)/p-1

1 reference

language of work or name

English

title

CHEBI:87706 (English)

retrieved

9 October 2016

InChIKey

UWUJGRILHQLZMR-UHFFFAOYSA-M

2 references

language of work or name

English

title

CHEBI:87706 (English)

retrieved

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

language of work or name

English

title

CHEBI:87706 (English)

retrieved

9 October 2016

matched by identifier from

InChIKey

UWUJGRILHQLZMR-UHFFFAOYSA-M

ChEBI ID

87706

mapping relation type

2 references

language of work or name

English

title

dihydroxy mycolate (English)

retrieved

9 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C82H162O4/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-29-36-42-48-54-60-66-72-79(82(85)86)81(84)74-68-62-56-50-44-38-30-26-28-34-40-46-52-58-64-70-77-75-78(77)71-65-59-53-47-41-35-31-32-37-43-49-55-61-67-73-80(83)76(3)69-63-57-51-45-39-33-27-21-19-17-15-13-11-9-7-5-2/h76-81,83-84H,4-75H2,1-3H3,(H,85,86)/p-1

1 reference

(Q27159851)

dihydroxy mycolate

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