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CHEBI:206731 - Leualacin E

ChEBI IDCHEBI:206731
ChEBI NameLeualacin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H47N3O8
Net Charge0
Average Mass589.730
Monoisotopic Mass589.33632
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](CC(C)C)OC1=O
InChIInChI=1S/C31H47N3O8/c1-18(2)14-23-31(40)42-26(16-20(5)6)30(39)34(7)24(17-21-8-10-22(35)11-9-21)28(37)32-13-12-27(36)41-25(15-19(3)4)29(38)33-23/h8-11,18-20,23-26,35H,12-17H2,1-7H3,(H,32,37)(H,33,38)/t23-,24-,25+,26-/m0/s1
InChIKeyHWFNLJFPNASJMP-SSUZURRFSA-N
Species of MetaboliteComponentSourceComments
Hapsidospora irregularis (ncbitaxon:95324) - PubMed (28106998)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Leualacin E (CHEBI:206731) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R,5S,8S,11S)-11-[(4-hydroxyphenyl)methyl]-10-methyl-2,5,8-tris(2-methylpropyl)-1,7-dioxa-4,10,13-triazacyclohexadecane-3,6,9,12,16-pentone
Manual XrefsDatabases
78438915ChemSpider