Toblerol C (CHEBI:219674)

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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	Toblerol C

ChEBI ID	CHEBI:219674

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H22O2

Net Charge

Average Mass

210.317

Monoisotopic Mass

210.16198

InChI

InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-11-10-12(11)13(14)15/h7-8,11-12H,2-6,9-10H2,1H3,(H,14,15)/b8-7-/t11-,12-/m1/s1

InChIKey

CYZBYYRNFIYDSJ-PKJDGDQJSA-N

SMILES

O=C(O)[C@H]1[C@H](C/C=C\CCCCCC)C1

Metabolite of Species	Details
Methylorubrum extorquens AM1 (NCBI:txid272630)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Toblerol C (CHEBI:219674) is a carboxylic acid (CHEBI:33575) Toblerol C (CHEBI:219674) is a cyclopropanes (CHEBI:51454)

IUPAC Name

(1R,2R)-2-[(Z)-non-2-enyl]cyclopropane-1-carboxylic acid