Macyranone C (CHEBI:219146)

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CHEBI:219146 - Macyranone C

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ChEBI ID	CHEBI:219146
ChEBI Name	Macyranone C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H44N4O9
Net Charge	0
Average Mass	592.690
Monoisotopic Mass	592.31083
SMILES	CCC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)[C@@H](C)O
InChI	InChI=1S/C29H44N4O9/c1-7-22(36)20(13-15(2)3)30-27(39)23(17(5)34)33-28(40)24(18(6)35)32-26(38)16(4)25(37)31-21(29(41)42)14-19-11-9-8-10-12-19/h8-12,15-18,20-21,23-24,34-35H,7,13-14H2,1-6H3,(H,30,39)(H,31,37)(H,32,38)(H,33,40)(H,41,42)/t16?,17-,18-,20+,21+,23+,24+/m1/s1
InChIKey	GEDJRTIHPXSXQU-UTZCMNFHSA-N

Species of Metabolite	Component	Source	Comments
Cystobacter (ncbitaxon:42)	-	PubMed (26050527)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Macyranone C (CHEBI:219146) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[3-[[(2S,3R)-3-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[[(4S)-2-methyl-5-oxoheptan-4-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-methyl-3-oxopropanoyl]amino]-3-phenylpropanoic acid

Manual Xrefs	Databases
78442823	ChemSpider