Beauvenniatin D (CHEBI:219788)

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CHEBI:219788 - Beauvenniatin D

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ChEBI ID	CHEBI:219788
ChEBI Name	Beauvenniatin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C41H57N3O10
Net Charge	0
Average Mass	751.918
Monoisotopic Mass	751.40440
SMILES	CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O[C@H](C(C)C)C(=O)N1C
InChI	InChI=1S/C41H57N3O10/c1-23(2)32-41(51)54-34(25(5)6)37(47)43(10)31(22-28-17-19-29(45)20-18-28)40(50)52-33(24(3)4)36(46)42(9)30(21-27-15-13-12-14-16-27)39(49)53-35(26(7)8)38(48)44(32)11/h12-20,23-26,30-35,45H,21-22H2,1-11H3/t30-,31-,32-,33+,34+,35+/m0/s1
InChIKey	PFVOZEAOIDHCCR-DULUVLRMSA-N

Species of Metabolite	Component	Source	Comments
Acremonium (ncbitaxon:159075)	-	DOI (10.1016/j.tet.2011.08.041)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Beauvenniatin D (CHEBI:219788) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9S,12R,15S,18R)-3-benzyl-9-[(4-hydroxyphenyl)methyl]-4,10,16-trimethyl-6,12,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
78437637	ChemSpider