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CHEBI:223842 - Talaromin A

ChEBI IDCHEBI:223842
ChEBI NameTalaromin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H53N7O9
Net Charge0
Average Mass763.893
Monoisotopic Mass763.39048
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C(C)C)NC(=O)c2ccccc2NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C39H53N7O9/c1-7-21(4)31-39(55)46-18-10-13-29(46)36(52)41-27-12-9-8-11-26(27)34(50)43-30(20(2)3)37(53)42-28(19-24-14-16-25(48)17-15-24)35(51)45-32(23(6)47)38(54)40-22(5)33(49)44-31/h8-9,11-12,14-17,20-23,28-32,47-48H,7,10,13,18-19H2,1-6H3,(H,40,54)(H,41,52)(H,42,53)(H,43,50)(H,44,49)(H,45,51)/t21-,22-,23+,28-,29-,30+,31-,32-/m0/s1
InChIKeyXBWQUDIMYZXYAF-VBQPTGGPSA-N
Species of MetaboliteComponentSourceComments
Talaromyces wortmannii (ncbitaxon:28567) - DOI (10.1016/j.tetlet.2013.01.064)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Talaromin A (CHEBI:223842) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,10S,13S,16S,19S,22R)-10-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-19-[(4-hydroxyphenyl)methyl]-13-methyl-22-propan-2-yl-2,8,11,14,17,20,23-heptazatricyclo[23.4.0.04,8]nonacosa-1(29),25,27-triene-3,9,12,15,18,21,24-heptone
Manual XrefsDatabases
78437735ChemSpider