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CHEBI:223073 - Desmethylisaridin C1

ChEBI IDCHEBI:223073
ChEBI NameDesmethylisaridin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H53N5O7
Net Charge0
Average Mass655.837
Monoisotopic Mass655.39450
SMILESCC(C)C[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC1=O
InChIInChI=1S/C35H53N5O7/c1-21(2)18-25-31(42)36-16-15-29(41)47-28(19-22(3)4)35(46)40-17-11-14-27(40)32(43)38-26(20-24-12-9-8-10-13-24)34(45)39(7)30(23(5)6)33(44)37-25/h8-10,12-13,21-23,25-28,30H,11,14-20H2,1-7H3,(H,36,42)(H,37,44)(H,38,43)/t25-,26-,27-,28-,30-/m0/s1
InChIKeyPQDIYZGMQUULNQ-KGEMVMTLSA-N
Species of MetaboliteComponentSourceComments
Beauveria (ncbitaxon:5581) - PubMed (24742254)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Desmethylisaridin C1 (CHEBI:223073) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,10S,13S,16S,19S)-16-benzyl-14-methyl-3,10-bis(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual XrefsDatabases
32674906ChemSpider