Streptomycindole (CHEBI:203798)

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CHEBI:203798 - Streptomycindole

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ChEBI ID	CHEBI:203798
ChEBI Name	Streptomycindole
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H22N2O3
Net Charge	0
Average Mass	314.385
Monoisotopic Mass	314.16304
SMILES	CC/C(C)=C/CC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChI	InChI=1S/C18H22N2O3/c1-3-12(2)8-9-17(21)20-16(18(22)23)10-13-11-19-15-7-5-4-6-14(13)15/h4-8,11,16,19H,3,9-10H2,1-2H3,(H,20,21)(H,22,23)/b12-8+/t16-/m0/s1
InChIKey	ATGGIXUEYOJHSA-RCLKMUNOSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1002/hlca.201100104)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Streptomycindole (CHEBI:203798) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name
(2S)-3-(1H-indol-3-yl)-2-[[(E)-4-methylhex-3-enoyl]amino]propanoic acid

Manual Xrefs	Databases
28185064	ChemSpider