Conagenin (CHEBI:221460)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Conagenin

ChEBI ID	CHEBI:221460

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H19NO6

Net Charge

Average Mass

249.263

Monoisotopic Mass

249.12124

InChI

InChI=1S/C10H19NO6/c1-5(6(2)13)7(14)8(15)11-10(3,4-12)9(16)17/h5-7,12-14H,4H2,1-3H3,(H,11,15)(H,16,17)/t5-,6+,7+,10-/m0/s1

InChIKey

GLESHRYLRAOJPS-DHCFDGJBSA-N

SMILES

O=C(O)[C@@](NC(=O)[C@H](O)[C@H]([C@H](O)C)C)(CO)C

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	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	Conagenin (CHEBI:221460) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

(2S)-2-[[(2R,3S,4R)-2,4-dihydroxy-3-methylpentanoyl]amino]-3-hydroxy-2-methylpropanoic acid