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CHEBI:215912 - Destruxin-Ed1

ChEBI IDCHEBI:215912
ChEBI NameDestruxin-Ed1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H51N5O9
Net Charge0
Average Mass625.764
Monoisotopic Mass625.36868
SMILESCCC(C)C1NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC(O)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O
InChIInChI=1S/C30H51N5O9/c1-8-18(4)24-29(42)34(7)25(17(2)3)30(43)33(6)19(5)26(39)31-13-12-23(38)44-22(15-20(37)16-36)28(41)35-14-10-9-11-21(35)27(40)32-24/h17-22,24-25,36-37H,8-16H2,1-7H3,(H,31,39)(H,32,40)/t18?,19?,20?,21-,22+,24?,25?/m0/s1
InChIKeyWSFGUSJVLMZWTL-LSGBTAIHSA-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:215912) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,19S)-16-butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone
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