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CHEBI:205217 - Taxlllaid B

ChEBI IDCHEBI:205217
ChEBI NameTaxlllaid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H71N7O10
Net Charge0
Average Mass858.091
Monoisotopic Mass857.52624
SMILESCC(C)CCCC(=O)N[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)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/C44H71N7O10/c1-23(2)13-12-14-36(53)51-37-29(11)61-44(60)28(10)46-39(55)32(19-24(3)4)48-40(56)33(20-25(5)6)49-41(57)34(21-26(7)8)50-42(58)35(22-30-15-17-31(52)18-16-30)47-38(54)27(9)45-43(37)59/h15-18,23-29,32-35,37,52H,12-14,19-22H2,1-11H3,(H,45,59)(H,46,55)(H,47,54)(H,48,56)(H,49,57)(H,50,58)(H,51,53)/t27-,28-,29+,32-,33+,34+,35-,37-/m0/s1
InChIKeyLOIWNEIAXNHIHO-KBZFWUTGSA-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 B (CHEBI:205217) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3S,6S,9R,12R,15S,18S,21S,22R)-15-[(4-hydroxyphenyl)methyl]-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]-5-methylhexanamide
Manual XrefsDatabases
78442605ChemSpider