Pepstanone A (CHEBI:224077)

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CHEBI:224077 - Pepstanone A

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ChEBI ID	CHEBI:224077
ChEBI Name	Pepstanone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H61N5O7
Net Charge	0
Average Mass	639.879
Monoisotopic Mass	639.45710
SMILES	CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C
InChI	InChI=1S/C33H61N5O7/c1-17(2)13-24(23(12)39)35-31(43)22(11)34-28(42)16-26(40)25(14-18(3)4)36-32(44)30(21(9)10)38-33(45)29(20(7)8)37-27(41)15-19(5)6/h17-22,24-26,29-30,40H,13-16H2,1-12H3,(H,34,42)(H,35,43)(H,36,44)(H,37,41)(H,38,45)/t22-,24-,25-,26+,29-,30-/m1/s1
InChIKey	JHANZTUCBUPMAQ-GAPDWFLPSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (4567545)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Pepstanone A (CHEBI:224077) is a peptide (CHEBI:16670)

IUPAC Name
(3S,4R)-3-hydroxy-6-methyl-4-[[(2R)-3-methyl-2-[[(2R)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-N-[(2R)-1-[[(3R)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]heptanamide

Manual Xrefs	Databases
78443170	ChemSpider