Macyranone D (CHEBI:219152)

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CHEBI:219152 - Macyranone D

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ChEBI ID	CHEBI:219152
ChEBI Name	Macyranone D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H40N6O9
Net Charge	0
Average Mass	616.672
Monoisotopic Mass	616.28568
SMILES	CCC(=O)[C@H](Cc1cncn1)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/C29H40N6O9/c1-5-22(38)20(12-19-13-30-14-31-19)32-27(41)23(16(3)36)35-28(42)24(17(4)37)34-26(40)15(2)25(39)33-21(29(43)44)11-18-9-7-6-8-10-18/h6-10,13-17,20-21,23-24,36-37H,5,11-12H2,1-4H3,(H,30,31)(H,32,41)(H,33,39)(H,34,40)(H,35,42)(H,43,44)/t15?,16-,17+,20-,21-,23-,24-/m0/s1
InChIKey	DRLRUDYYKDPJRO-GCLCDYDMSA-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 D (CHEBI:219152) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[3-[[(2S,3R)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-[[(2S)-1-(1H-imidazol-5-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
58825842	ChemSpider