CHEBI:18193 - 10-deacetylbaccatin III

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 10-deacetylbaccatin III
ChEBI ID CHEBI:18193
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11300, CHEBI:693
Supplier Information
Download Molfile XML SDF
Formula C29H36O10
Net Charge 0
Average Mass 544.59014
Monoisotopic Mass 544.23085
InChI InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
InChIKey YWLXLRUDGLRYDR-ZHPRIASZSA-N
SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C
ChEBI Ontology
Outgoing 10-deacetylbaccatin III (CHEBI:18193) has functional parent baccatin III (CHEBI:32898)
10-deacetylbaccatin III (CHEBI:18193) is a secondary α-hydroxy ketone (CHEBI:2468)
10-deacetylbaccatin III (CHEBI:18193) is a tetracyclic diterpenoid (CHEBI:52557)
Incoming cabazitaxel (CHEBI:63584) has functional parent 10-deacetylbaccatin III (CHEBI:18193)
IUPAC Name
5β,20-epoxy-1,7β,10β,13α-tetrahydroxy-9-oxotax-11-ene-2α,4α-diyl 4-acetate 2-benzoate
Synonyms Sources
10-Deacetylbaccatin III KEGG COMPOUND
10-deacetylbaccatin III UniProt
Manual Xref Database
C11700 KEGG COMPOUND
View more database links
Registry Number Type Source
32981-86-5 CAS Registry Number KEGG COMPOUND
Last Modified
06 February 2018