Talarolide A (CHEBI:216432)

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CHEBI:216432 - Talarolide A

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ChEBI ID	CHEBI:216432
ChEBI Name	Talarolide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H55N7O9
Net Charge	0
Average Mass	717.865
Monoisotopic Mass	717.40613
SMILES	CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](C)NC(=O)CN(O)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC1=O
InChI	InChI=1S/C35H55N7O9/c1-11-20(4)29-31(46)37-22(6)33(48)41(10)27(16-19(2)3)35(50)42(51)18-28(44)36-21(5)32(47)39(8)23(7)34(49)40(9)26(30(45)38-29)17-24-12-14-25(43)15-13-24/h12-15,19-23,26-27,29,43,51H,11,16-18H2,1-10H3,(H,36,44)(H,37,46)(H,38,45)/t20-,21-,22+,23+,26-,27+,29+/m0/s1
InChIKey	MIULAJWYSPXXSE-VELXIEJISA-N

Species of Metabolite	Component	Source	Comments
Talaromyces (ncbitaxon:5094)	-	PubMed (28383269)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Talarolide A (CHEBI:216432) is a cyclic peptide (CHEBI:23449)

IUPAC Name
(3R,6R,9R,12S,15R,18S)-9-[(2S)-butan-2-yl]-1-hydroxy-12-[(4-hydroxyphenyl)methyl]-4,6,13,15,16,18-hexamethyl-3-(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone

Manual Xrefs	Databases
61708472	ChemSpider