Heptacosane-6,8-dione (CHEBI:185576)

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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	Heptacosane-6,8-dione

ChEBI ID	CHEBI:185576

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C27H52O2

Net Charge

Average Mass

408.711

Monoisotopic Mass

408.39673

InChI

InChI=1S/C27H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h3-25H2,1-2H3

InChIKey

ZWDFZBUKKXMZLB-UHFFFAOYSA-N

SMILES

O=C(CCCCCCCCCCCCCCCCCCC)CC(=O)CCCCC

Metabolite of Species	Details
Bos taurus (NCBI:txid9913)	Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study

ChEBI Ontology
Outgoing	Heptacosane-6,8-dione (CHEBI:185576) is a β-diketone (CHEBI:67265)

IUPAC Name

heptacosane-6,8-dione