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CHEBI:221091 - Destruxin Ed1

ChEBI IDCHEBI:221091
ChEBI NameDestruxin Ed1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H49N5O9
Net Charge0
Average Mass611.737
Monoisotopic Mass611.35303
SMILESCC[C@H](C)[C@@H]1NC(=O)C2CCCN2C(=O)[C@@H](CC(O)CO)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
InChIInChI=1S/C29H49N5O9/c1-8-17(4)23-28(41)33(7)24(16(2)3)29(42)32(6)18(5)25(38)30-12-11-22(37)43-21(14-19(36)15-35)27(40)34-13-9-10-20(34)26(39)31-23/h16-21,23-24,35-36H,8-15H2,1-7H3,(H,30,38)(H,31,39)/t17-,18-,19?,20?,21+,23-,24-/m0/s1
InChIKeyDJYDCIUMNXZSBH-INXJPKBMSA-N
Species of MetaboliteComponentSourceComments
Metarhizium anisopliae (ncbitaxon:5530) - DOI (10.1016/s0031-9422(98)00337-9)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Destruxin Ed1 (CHEBI:221091) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,10S,13S,16S)-16-[(2S)-butan-2-yl]-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-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
78436196ChemSpider