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CHEBI:202785 - Destruxin-A3

ChEBI IDCHEBI:202785
ChEBI NameDestruxin-A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H47N5O7
Net Charge0
Average Mass565.712
Monoisotopic Mass565.34755
SMILESC=CC[C@H]1OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)CC)NC(=O)C(C)N(C)C1=O
InChIInChI=1S/C28H47N5O7/c1-11-13-20-26(37)31(8)19(7)25(36)30-22(17(5)12-2)27(38)33(10)23(16(3)4)28(39)32(9)18(6)24(35)29-15-14-21(34)40-20/h11,16-20,22-23H,1,12-15H2,2-10H3,(H,29,35)(H,30,36)/t17?,18-,19?,20+,22-,23-/m0/s1
InChIKeyGXMZNNUZVSHOOK-RUKNWHFXSA-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)
Destruxin-A3 (CHEBI:202785) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R,8S,11S,14S)-8-butan-2-yl-4,5,10,13,14-pentamethyl-11-propan-2-yl-2-prop-2-enyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-3,6,9,12,15,19-hexone
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78440143ChemSpider