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CHEBI:212766 - [b-MePro] destruxin E chlorohydrin

ChEBI IDCHEBI:212766
ChEBI Name[b-MePro] destruxin E chlorohydrin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50ClN5O8
Net Charge0
Average Mass644.210
Monoisotopic Mass643.33479
SMILESCCC(C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)CCN2C(=O)C(C[C@H](O)CCl)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
InChIInChI=1S/C30H50ClN5O8/c1-9-17(4)23-29(42)35(8)24(16(2)3)30(43)34(7)19(6)26(39)32-12-10-22(38)44-21(14-20(37)15-31)28(41)36-13-11-18(5)25(36)27(40)33-23/h16-21,23-25,37H,9-15H2,1-8H3,(H,32,39)(H,33,40)/t17?,18-,19-,20-,21?,23-,24-,25-/m0/s1
InChIKeyQWYNOTGFLNERCP-IRDIRMKXSA-N
Species of MetaboliteComponentSourceComments
Beauveria felina (ncbitaxon:37994) - PubMed (17136888)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[b-MePro] destruxin E chlorohydrin (CHEBI:212766) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(10S,13S,16S,19S,20S)-16-butan-2-yl-3-[(2S)-3-chloro-2-hydroxypropyl]-10,11,14,20-tetramethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
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10481537ChemSpider