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CHEBI:208402 - Desmethyldestruxin C

ChEBI IDCHEBI:208402
ChEBI NameDesmethyldestruxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H49N5O8
Net Charge0
Average Mass595.738
Monoisotopic Mass595.35811
SMILESCCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)CO)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C29H49N5O8/c1-8-18(5)24-27(39)31-23(16(2)3)29(41)33(7)19(6)25(37)30-12-11-22(36)42-21(14-17(4)15-35)28(40)34-13-9-10-20(34)26(38)32-24/h16-21,23-24,35H,8-15H2,1-7H3,(H,30,37)(H,31,39)(H,32,38)/t17?,18?,19-,20-,21+,23-,24-/m0/s1
InChIKeyADYKVJBZJFELCJ-TYOQIHRISA-N
Species of MetaboliteComponentSourceComments
Metarhizium anisopliae (ncbitaxon:5530) - DOI (10.1021/np50094a034)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Desmethyldestruxin C (CHEBI:208402) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,10S,13S,16S,19S)-16-butan-2-yl-3-(3-hydroxy-2-methylpropyl)-10,11-dimethyl-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
78440343ChemSpider