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CHEBI:80034 - Tubulysin A

ChEBI IDCHEBI:80034
ChEBI NameTubulysin A
Stars
Last Modified12 May 2016
DownloadsMolfile
FormulaC43H65N5O10S
Net Charge0
Average Mass844.085
Monoisotopic Mass843.44521
SMILES[H][C@@](NC(=O)[C@@]1([H])CCCCN1C)(C(=O)N(COC(=O)CC(C)C)[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/C43H65N5O10S/c1-10-27(6)38(46-40(53)34-13-11-12-18-47(34)9)42(54)48(24-57-37(51)19-25(2)3)35(26(4)5)22-36(58-29(8)49)41-45-33(23-59-41)39(52)44-31(20-28(7)43(55)56)21-30-14-16-32(50)17-15-30/h14-17,23,25-28,31,34-36,38,50H,10-13,18-22,24H2,1-9H3,(H,44,52)(H,46,53)(H,55,56)/t27-,28-,31+,34+,35+,36+,38-/m0/s1
InChIKeyIBEDDHUHZBDXGB-OEJISELMSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Tubulysin A (CHEBI:80034) is a carboxylic acid (CHEBI:33575)
Tubulysin A (CHEBI:80034) is a diester (CHEBI:51307)
Manual XrefsDatabases
C00015653KNApSAcK
C15702KEGG COMPOUND