2-Hexylglycerol (CHEBI:169361)

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ChEBI Ontology

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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	2-Hexylglycerol

ChEBI ID	CHEBI:169361

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H20O3

Net Charge

Average Mass

176.256

Monoisotopic Mass

176.14124

InChI

InChI=1S/C9H20O3/c1-2-3-4-5-6-12-9(7-10)8-11/h9-11H,2-8H2,1H3

InChIKey

PXWAQUODOTWYMT-UHFFFAOYSA-N

SMILES

O(CCCCCC)C(CO)CO

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	2-Hexylglycerol (CHEBI:169361) is a alkylglycerol (CHEBI:52575)

IUPAC Name

2-hexoxypropane-1,3-diol