Gageotetrin A (CHEBI:217383)

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CHEBI:217383 - Gageotetrin A

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ChEBI ID	CHEBI:217383
ChEBI Name	Gageotetrin A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C25H46N2O7
Net Charge	0
Average Mass	486.650
Monoisotopic Mass	486.33050
SMILES	CCC(C)CCCCCCC[C@@H](O)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
InChI	InChI=1S/C25H46N2O7/c1-5-18(4)11-9-7-6-8-10-12-19(28)16-22(29)26-20(13-14-23(30)31)24(32)27-21(25(33)34)15-17(2)3/h17-21,28H,5-16H2,1-4H3,(H,26,29)(H,27,32)(H,30,31)(H,33,34)/t18?,19-,20+,21+/m1/s1
InChIKey	BMMGKKOOKSVEEE-IWORHSITSA-N

Species of Metabolite	Component	Source	Comments
Bacillus (ncbitaxon:1386)	-	PubMed (24502521)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Gageotetrin A (CHEBI:217383) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-2-[[(2S)-4-carboxy-2-[[(3R)-3-hydroxy-11-methyltridecanoyl]amino]butanoyl]amino]-4-methylpentanoic acid

Manual Xrefs	Databases
30900791	ChemSpider