1,2-dioctanoyl-1,2,6-hexanetriol (CHEBI:183139)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	1,2-dioctanoyl-1,2,6-hexanetriol

ChEBI ID	CHEBI:183139

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H42O5

Net Charge

Average Mass

386.573

Monoisotopic Mass

386.30322

InChI

InChI=1S/C22H42O5/c1-3-5-7-9-11-16-21(24)26-19-20(15-13-14-18-23)27-22(25)17-12-10-8-6-4-2/h20,23H,3-19H2,1-2H3

InChIKey

OIZUFAJVECZZKT-UHFFFAOYSA-N

SMILES

O(C(CCCCO)COC(=O)CCCCCCC)C(=O)CCCCCCC

Metabolite of Species	Details
Trypanosoma brucei (NCBI:txid5691)	Found in cell culture (BTO:0000214). See: MetaboLights Study

ChEBI Ontology
Outgoing	1,2-dioctanoyl-1,2,6-hexanetriol (CHEBI:183139) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name

(6-hydroxy-2-octanoyloxyhexyl) octanoate