CHEBI:80034 - Tubulysin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Tubulysin A
ChEBI ID CHEBI:80034
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C43H65N5O10S
Net Charge 0
Average Mass 844.06900
Monoisotopic Mass 843.44521
InChI InChI=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
InChIKey IBEDDHUHZBDXGB-OEJISELMSA-N
SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccc(O)cc1)C(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Tubulysin A (CHEBI:80034) is a carboxylic acid (CHEBI:33575)
Tubulysin A (CHEBI:80034) is a diester (CHEBI:51307)
Manual Xrefs Databases
C00015653 KNApSAcK
C15702 KEGG COMPOUND
View more database links
Last Modified
12 May 2016