Ahpatinin E (CHEBI:224885)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224885 - Ahpatinin E

Take structure to advanced search

ChEBI ID	CHEBI:224885
ChEBI Name	Ahpatinin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H63N5O9
Net Charge	0
Average Mass	733.948
Monoisotopic Mass	733.46258
SMILES	COC(=O)CC(O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
InChI	InChI=1S/C38H63N5O9/c1-21(2)16-27(41-37(50)35(24(7)8)43-38(51)34(23(5)6)42-31(46)17-22(3)4)29(44)19-32(47)39-25(9)36(49)40-28(30(45)20-33(48)52-10)18-26-14-12-11-13-15-26/h11-15,21-25,27-30,34-35,44-45H,16-20H2,1-10H3,(H,39,47)(H,40,49)(H,41,50)(H,42,46)(H,43,51)
InChIKey	UIRDINUYOQOXPX-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (3093433)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Ahpatinin E (CHEBI:224885) is a peptide (CHEBI:16670)

IUPAC Name
methyl 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-5-phenylpentanoate

Manual Xrefs	Databases
78444949	ChemSpider