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CHEBI:203130 - Exumolide A

ChEBI IDCHEBI:203130
ChEBI NameExumolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H55N5O7
Net Charge0
Average Mass729.919
Monoisotopic Mass729.41015
SMILESCC(C)C[C@@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C41H55N5O7/c1-26(2)22-34-37(48)42-30(24-28-14-8-6-9-15-28)36(47)43-31(25-29-16-10-7-11-17-29)38(49)46-21-13-19-33(46)41(52)53-35(23-27(3)4)40(51)45-20-12-18-32(45)39(50)44(34)5/h6-11,14-17,26-27,30-35H,12-13,18-25H2,1-5H3,(H,42,48)(H,43,47)/t30-,31-,32-,33-,34-,35-/m0/s1
InChIKeyGWGKNTICBPKKKW-LBBUGJAGSA-N
Species of MetaboliteComponentSourceComments
Scytalidiumspecies (ncbitaxon:1715249) - DOI (10.1016/s0040-4039(98)00288-3)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Exumolide A (CHEBI:203130) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,12S,15S,18S,21S)-12,15-dibenzyl-19-methyl-3,18-bis(2-methylpropyl)-4-oxa-1,10,13,16,19-pentazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone
Manual XrefsDatabases
8684546ChemSpider