alpha,alpha'-trehalose 6,6'-bismycolate

chemical compound

ChemicalSubstance group_of_stereoisomers Q27102889

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Key Facts

Canonical SMILES: CCCCCCCCCCCCCCC(C(CCCCCCCC=CCCCCCC)O)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C(CCCCCCCCCCCCCC)C(CCCCCCCC=CCCCCCC)O)O)O)O)O)O)O^[1]
Chemical formula: C₇₆H₁₄₂O₁₅^[2]
Subclass of: mycolic acids^[3]
Part of: trehalose O-mycolyltransferase activity^[4]
Isomeric SMILES: CCCCCCCCCCCCCCC(C(=O)OC[C@H]1OC@@HO[C@H]2OC@@HCOC(=O)C(C(O)CCCCCCC/C=C/CCCCCC)CCCCCCCCCCCCCC)C(O)CCCCCCC/C=C/CCCCCC^{C@@HO[C@H]2OC@@HCOC(=O)C(C(O)CCCCCCC/C=C/CCCCC">[5]}
Mass: 1295.034874 dalton^[6]

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Quick Facts

Instance of group of stereoisomers

Subclass of mycolic acids

Part of trehalose O-mycolyltransferase activity

Properties

Canonical smiles CCCCCCCCCCCCCCC(C(CCCCCCCC=CCCCCCC)O)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C(CCCCCCCCCCCCCC)C(CCCCCCCC=CCCCCCC)O)O)O)O)O)O)O

Chemical formula C₇₆H₁₄₂O₁₅

Isomeric smiles CCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)COC(=O)C(C(O)CCCCCCC/C=C/CCCCCC)CCCCCCCCCCCCCC)C(O)CCCCCCC/C=C/CCCCCC

Mass +1295.034874

External References (8)

Chebi id 18195

Chemspider id 26333125

Inchi InChI=1S/C76H142O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,61-72,75-84H,5-24,27-28,31-60H2,1-4H3/b29-25+,30-26+/t61?,62?,63?,64?,65-,66-,67-,68-,69+,70+,71-,72-,75-,76-/m1/s1

Inchikey VTTNQXWXPJHFRB-DJPNOUAQSA-N

Kegg id C04465

Lipid maps id LMFA01160002

Pubchem cid 44176384

Unichem compound id 1071527

🏷️ Also known as

en alpha,alpha'-trehalose 6,6'-bismycolate

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

[1] ↑ alpha,alpha'-trehalose 6,6'-bismycolate — canonical SMILES (P233): CCCCCCCCCCCCCCC(C(CCCCCCCC=CCCCCCC)O)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C(CCCCCCCCCCCCCC)C(CCCCCCCC=CCCCCCC)O)O)O)O)O)O)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[2] ↑ alpha,alpha'-trehalose 6,6'-bismycolate — chemical formula (P274): C₇₆H₁₄₂O₁₅. PubChem. Retrieved 2016-10-05. wikidata.org.
[3] ↑ alpha,alpha'-trehalose 6,6'-bismycolate — subclass of (P279): mycolic acids. wikidata.org.
[4] ↑ alpha,alpha'-trehalose 6,6'-bismycolate — part of (P361): trehalose O-mycolyltransferase activity. Gene Ontology release 2020-05-02. wikidata.org.
[5] ↑ alpha,alpha'-trehalose 6,6'-bismycolate — isomeric SMILES (P2017): CCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)COC(=O)C(C(O)CCCCCCC/C=C/CCCCCC)CCCCCCCCCCCCCC)C(O)CCCCCCC/C=C/CCCCCC. PubChem. Retrieved 2016-10-05. wikidata.org.
[6] ↑ alpha,alpha'-trehalose 6,6'-bismycolate — mass (P2067): 1295.034874 dalton. PubChem. Retrieved 2016-10-05. wikidata.org.

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APA

4ort.xyz Knowledge Graph. (2026). alpha,alpha'-trehalose 6,6'-bismycolate. Retrieved May 3, 2026, from https://4ort.xyz/entity/alpha-alpha-trehalose-6-6-bismycolate

MLA

“alpha,alpha'-trehalose 6,6'-bismycolate.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/alpha-alpha-trehalose-6-6-bismycolate.

BibTeX

@misc{4ortxyz_alpha-alpha-trehalose-6-6-bismycolate_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{alpha,alpha'-trehalose 6,6'-bismycolate}}, year = {2026}, url = {https://4ort.xyz/entity/alpha-alpha-trehalose-6-6-bismycolate}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): alpha,alpha'-trehalose 6,6'-bismycolate — https://4ort.xyz/entity/alpha-alpha-trehalose-6-6-bismycolate (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/alpha-alpha-trehalose-6-6-bismycolate · Last refreshed: May 3, 2026

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

17w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Isomeric smiles → CCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O

Subclass of → mycolic acids

Lipid maps id → LMFA01160002

Instance of → group of stereoisomers

+ 13 other properties edited (see Wikidata diff for full list)

"/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"

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