4-[5]-ladderane-butanoic acid (CHEBI:187402)

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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	4-[5]-ladderane-butanoic acid

ChEBI ID	CHEBI:187402

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H22O2

Net Charge

Average Mass

246.350

Monoisotopic Mass

246.16198

InChI

InChI=1S/C16H22O2/c17-11(18)3-1-2-7-6-10-12(7)16-14-9-5-4-8(9)13(14)15(10)16/h7-10,12-16H,1-6H2,(H,17,18)

InChIKey

ZDWWCRQXNJGGFF-UHFFFAOYSA-N

SMILES

OC(=O)CCCC1C2C3C(C4C3C5C4CC5)C2C1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	4-[5]-ladderane-butanoic acid (CHEBI:187402) is a fatty acid derivative (CHEBI:61697)

IUPAC Name

4-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)butanoic acid