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CHEBI:204890 - Taxlllaid D

ChEBI IDCHEBI:204890
ChEBI NameTaxlllaid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H69N7O9
Net Charge0
Average Mass828.065
Monoisotopic Mass827.51568
SMILESCC(C)CCC(=O)N[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)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/C43H69N7O9/c1-23(2)17-18-35(51)50-36-29(11)59-43(58)28(10)45-38(53)31(19-24(3)4)47-39(54)32(20-25(5)6)48-40(55)33(21-26(7)8)49-41(56)34(22-30-15-13-12-14-16-30)46-37(52)27(9)44-42(36)57/h12-16,23-29,31-34,36H,17-22H2,1-11H3,(H,44,57)(H,45,53)(H,46,52)(H,47,54)(H,48,55)(H,49,56)(H,50,51)/t27-,28-,29+,31-,32+,33+,34-,36-/m0/s1
InChIKeyZXDPIOZVFRMFBK-WRWGTOLFSA-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 D (CHEBI:204890) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3S,6S,9R,12R,15S,18S,21S,22R)-15-benzyl-3,18,22-trimethyl-6,9,12-tris(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-4-methylpentanamide
Manual XrefsDatabases
78442596ChemSpider