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CHEBI:220073 - Taxlllaid E

ChEBI IDCHEBI:220073
ChEBI NameTaxlllaid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H69N7O9
Net Charge0
Average Mass780.021
Monoisotopic Mass779.51568
SMILESCC(C)CC(=O)N[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O[C@@H]1C
InChIInChI=1S/C39H69N7O9/c1-19(2)14-27-34(49)41-25(12)39(54)55-26(13)32(46-31(47)18-23(9)10)38(53)40-24(11)33(48)42-28(15-20(3)4)35(50)44-30(17-22(7)8)37(52)45-29(16-21(5)6)36(51)43-27/h19-30,32H,14-18H2,1-13H3,(H,40,53)(H,41,49)(H,42,48)(H,43,51)(H,44,50)(H,45,52)(H,46,47)/t24-,25-,26+,27-,28-,29+,30+,32-/m0/s1
InChIKeyAIBWGBNSFDFQAI-WWLWFITCSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus indica (ncbitaxon:333964) - PubMed (25351611)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Taxlllaid E (CHEBI:220073) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-methyl-N-[(3S,6S,9R,12R,15S,18S,21S,22R)-3,18,22-trimethyl-6,9,12,15-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]butanamide
Manual XrefsDatabases
78442656ChemSpider