1-Hexylglycerol (CHEBI:168806)

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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-Hexylglycerol

ChEBI ID	CHEBI:168806

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/c1-2-3-4-5-6-12-8-9(11)7-10/h9-11H,2-8H2,1H3/t9-/m0/s1

InChIKey

MQVMITUCTLYRNV-VIFPVBQESA-N

SMILES

O(CCCCCC)C[C@@H](O)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	1-Hexylglycerol (CHEBI:168806) is a alkylglycerol (CHEBI:52575)

IUPAC Name

(2S)-3-hexoxypropane-1,2-diol