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CHEBI:197763 - Taxlllaid A

ChEBI IDCHEBI:197763
ChEBI NameTaxlllaid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H73N7O9
Net Charge0
Average Mass808.075
Monoisotopic Mass807.54698
SMILESCC(C)CCCC(=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/C41H73N7O9/c1-21(2)15-14-16-33(49)48-34-28(13)57-41(56)27(12)43-36(51)29(17-22(3)4)45-38(53)31(19-24(7)8)47-39(54)32(20-25(9)10)46-37(52)30(18-23(5)6)44-35(50)26(11)42-40(34)55/h21-32,34H,14-20H2,1-13H3,(H,42,55)(H,43,51)(H,44,50)(H,45,53)(H,46,52)(H,47,54)(H,48,49)/t26-,27-,28+,29-,30-,31+,32+,34-/m0/s1
InChIKeyDGSRQKSHTABVKQ-CSACJKOTSA-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 A (CHEBI:197763) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-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]hexanamide
Manual XrefsDatabases
78442441ChemSpider