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CHEBI:208719 - Scopularide C

ChEBI IDCHEBI:208719
ChEBI NameScopularide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H63N5O7
Net Charge0
Average Mass713.961
Monoisotopic Mass713.47275
SMILESCCCCCC[C@H](C)C[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1
InChIInChI=1S/C39H63N5O7/c1-9-10-11-13-16-26(6)20-27(7)32-22-33(45)40-23-34(46)44-35(25(4)5)38(49)42-30(19-24(2)3)37(48)41-28(8)36(47)43-31(39(50)51-32)21-29-17-14-12-15-18-29/h12,14-15,17-18,24-28,30-32,35H,9-11,13,16,19-23H2,1-8H3,(H,40,45)(H,41,48)(H,42,49)(H,43,47)(H,44,46)/t26-,27-,28-,30+,31-,32-,35-/m0/s1
InChIKeyPTRNIKCPQNPOSZ-HAEOMNIISA-N
Species of MetaboliteComponentSourceComments
Beauveria (ncbitaxon:5581) - PubMed (31426405)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Scopularide C (CHEBI:208719) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,12S,19S)-3-benzyl-6-methyl-19-[(2S,4S)-4-methyldecan-2-yl]-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
77006267ChemSpider