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CHEBI:80036 - Tubulysin D

ChEBI IDCHEBI:80036
ChEBI NameTubulysin D
Stars
Last Modified12 May 2016
DownloadsMolfile
FormulaC43H65N5O9S
Net Charge0
Average Mass828.086
Monoisotopic Mass827.45030
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](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C)[C@@H](C)CC
InChIInChI=1S/C43H65N5O9S/c1-10-28(6)38(46-40(52)34-18-14-15-19-47(34)9)42(53)48(25-56-37(50)20-26(2)3)35(27(4)5)23-36(57-30(8)49)41-45-33(24-58-41)39(51)44-32(21-29(7)43(54)55)22-31-16-12-11-13-17-31/h11-13,16-17,24,26-29,32,34-36,38H,10,14-15,18-23,25H2,1-9H3,(H,44,51)(H,46,52)(H,54,55)/t28-,29-,32+,34+,35+,36+,38-/m0/s1
InChIKeySAJNCFZAPSBQTQ-HZZFHOQESA-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 D (CHEBI:80036) is a carboxylic acid (CHEBI:33575)
Tubulysin D (CHEBI:80036) is a diester (CHEBI:51307)
Manual XrefsDatabases
C15704KEGG COMPOUND
C00015655KNApSAcK