Gageotetrin C (CHEBI:221193)

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CHEBI:221193 - Gageotetrin C

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ChEBI ID	CHEBI:221193
ChEBI Name	Gageotetrin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H68N4O9
Net Charge	0
Average Mass	712.970
Monoisotopic Mass	712.49863
SMILES	CCC(C)CC(C)CCCC[C@@H](O)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O
InChI	InChI=1S/C37H68N4O9/c1-10-25(8)20-26(9)13-11-12-14-27(42)21-32(43)38-28(15-16-33(44)45)34(46)39-29(17-22(2)3)35(47)40-30(18-23(4)5)36(48)41-31(37(49)50)19-24(6)7/h22-31,42H,10-21H2,1-9H3,(H,38,43)(H,39,46)(H,40,47)(H,41,48)(H,44,45)(H,49,50)/t25?,26?,27-,28+,29+,30+,31+/m1/s1
InChIKey	BMFITMZQTXTVTH-AUYSWKLHSA-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 C (CHEBI:221193) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(3R)-3-hydroxy-8,10-dimethyldodecanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Manual Xrefs	Databases
32674809	ChemSpider