Macyranone E (CHEBI:219158)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219158 - Macyranone E

Take structure to advanced search

ChEBI ID	CHEBI:219158
ChEBI Name	Macyranone E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H43N5O9
Net Charge	0
Average Mass	665.744
Monoisotopic Mass	665.30608
SMILES	CCC(=O)[C@H](Cc1cnc2ccccc12)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/C34H43N5O9/c1-5-27(42)25(16-22-17-35-24-14-10-9-13-23(22)24)36-32(45)28(19(3)40)39-33(46)29(20(4)41)38-31(44)18(2)30(43)37-26(34(47)48)15-21-11-7-6-8-12-21/h6-14,17-20,25-26,28-29,35,40-41H,5,15-16H2,1-4H3,(H,36,45)(H,37,43)(H,38,44)(H,39,46)(H,47,48)/t18?,19-,20+,25-,26-,28-,29-/m0/s1
InChIKey	HHPYBXDTISREJE-PVJKQRFOSA-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 E (CHEBI:219158) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[3-[[(2S,3R)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-[[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-methyl-3-oxopropanoyl]amino]-3-phenylpropanoic acid

Manual Xrefs	Databases
58825843	ChemSpider