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CHEBI:216721 - Isaridin A

ChEBI IDCHEBI:216721
ChEBI NameIsaridin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H53N5O7
Net Charge0
Average Mass703.881
Monoisotopic Mass703.39450
SMILESCC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C39H53N5O7/c1-25(2)22-32-38(49)44-21-13-18-30(44)36(47)41-29(23-27-14-9-7-10-15-27)37(48)43(6)34(26(3)4)39(50)42(5)31(24-28-16-11-8-12-17-28)35(46)40-20-19-33(45)51-32/h7-12,14-17,25-26,29-32,34H,13,18-24H2,1-6H3,(H,40,46)(H,41,47)/t29-,30-,31-,32-,34-/m0/s1
InChIKeyWLYWDCKLTCKHAK-JOBLXHLTSA-N
Species of MetaboliteComponentSourceComments
Isariaspecies (ncbitaxon:1906752) - PubMed (17191864)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Isaridin A (CHEBI:216721) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,10S,13S,16S,19S)-10,16-dibenzyl-11,14-dimethyl-3-(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
34219441ChemSpider