2,2-bis(3,3'-indolyl)-isocaproic acid (CHEBI:205144)

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CHEBI:205144 - 2,2-bis(3,3'-indolyl)-isocaproic acid

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ChEBI ID	CHEBI:205144
ChEBI Name	2,2-bis(3,3'-indolyl)-isocaproic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H22N2O2
Net Charge	0
Average Mass	346.430
Monoisotopic Mass	346.16813
SMILES	CC(C)CC(C(=O)O)(c1cnc2ccccc12)c1cnc2ccccc12
InChI	InChI=1S/C22H22N2O2/c1-14(2)11-22(21(25)26,17-12-23-19-9-5-3-7-15(17)19)18-13-24-20-10-6-4-8-16(18)20/h3-10,12-14,23-24H,11H2,1-2H3,(H,25,26)
InChIKey	WVXVAVCGGZLUNU-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Escherichia coli (ncbitaxon:562)	-	PubMed (10843566)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	2,2-bis(3,3'-indolyl)-isocaproic acid (CHEBI:205144) is a indole-3-acetic acids (CHEBI:24803)

IUPAC Name
2,2-bis(1H-indol-3-yl)-4-methylpentanoic acid

Manual Xrefs	Databases
8816681	ChemSpider