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CHEBI:80037 - Tubulysin E

ChEBI IDCHEBI:80037
ChEBI NameTubulysin E
Stars
Last Modified26 August 2015
DownloadsMolfile
FormulaC42H63N5O9S
Net Charge0
Average Mass814.059
Monoisotopic Mass813.43465
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](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C)[C@@H](C)CC
InChIInChI=1S/C42H63N5O9S/c1-9-16-36(49)55-25-47(41(52)37(27(5)10-2)45-39(51)33-19-14-15-20-46(33)8)34(26(3)4)23-35(56-29(7)48)40-44-32(24-57-40)38(50)43-31(21-28(6)42(53)54)22-30-17-12-11-13-18-30/h11-13,17-18,24,26-28,31,33-35,37H,9-10,14-16,19-23,25H2,1-8H3,(H,43,50)(H,45,51)(H,53,54)/t27-,28-,31+,33+,34+,35+,37-/m0/s1
InChIKeySEIXESXDPXDGRK-CAPJTEJHSA-N
ChEBI Ontology
Outgoing Relation(s)
Tubulysin E (CHEBI:80037) is a butyrate ester (CHEBI:50477)
Manual XrefsDatabases
C00015656KNApSAcK
C15705KEGG COMPOUND