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CHEBI:80035 - Tubulysin B

ChEBI IDCHEBI:80035
ChEBI NameTubulysin B
Stars
Last Modified26 August 2015
DownloadsMolfile
FormulaC42H63N5O10S
Net Charge0
Average Mass830.058
Monoisotopic Mass829.42956
SMILES[H][C@@](NC(=O)[C@@]1([H])CCCCN1C)(C(=O)N(COC(=O)CCC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)O)cs1)C(C)C)[C@@H](C)CC
InChIInChI=1S/C42H63N5O10S/c1-9-13-36(50)56-24-47(41(53)37(26(5)10-2)45-39(52)33-14-11-12-19-46(33)8)34(25(3)4)22-35(57-28(7)48)40-44-32(23-58-40)38(51)43-30(20-27(6)42(54)55)21-29-15-17-31(49)18-16-29/h15-18,23,25-27,30,33-35,37,49H,9-14,19-22,24H2,1-8H3,(H,43,51)(H,45,52)(H,54,55)/t26-,27-,30+,33+,34+,35+,37-/m0/s1
InChIKeyHWCIETDQUHYHGQ-YHVCZDCZSA-N
ChEBI Ontology
Outgoing Relation(s)
Tubulysin B (CHEBI:80035) is a butyrate ester (CHEBI:50477)
Manual XrefsDatabases
C15703KEGG COMPOUND
C00015654KNApSAcK