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CHEBI:756929 - paclitaxel docosahexaenoic acid

Default Structure
ChEBI IDCHEBI:756929
ChEBI Namepaclitaxel docosahexaenoic acid
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC69H81NO15
Net Charge0
Average Mass1164.399
Monoisotopic Mass1163.56062
SMILES[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@]12OC(C)=O)C3(C)C
InChIInChI=1S/C69H81NO15/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35-42-55(74)83-59(57(49-36-29-26-30-37-49)70-63(76)50-38-31-27-32-39-50)65(78)82-52-44-69(79)62(84-64(77)51-40-33-28-34-41-51)60-67(7,53(73)43-54-68(60,45-80-54)85-48(4)72)61(75)58(81-47(3)71)56(46(52)2)66(69,5)6/h9-10,12-13,15-16,18-19,21-22,24-34,36-41,52-54,57-60,62,73,79H,8,11,14,17,20,23,35,42-45H2,1-7H3,(H,70,76)/b10-9-,13-12-,16-15-,19-18-,22-21-,25-24-/t52-,53-,54+,57-,58+,59+,60-,62-,67+,68-,69+/m0/s1
InChIKeyLRCZQSDQZJBHAF-PUBGEWHCSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
paclitaxel docosahexaenoic acid (CHEBI:756929) has role antineoplastic agent (CHEBI:35610)
paclitaxel docosahexaenoic acid (CHEBI:756929) is a taxane diterpenoid (CHEBI:50367)
Synonyms  Source
Dha paclitaxelChEMBL
Dha-paclitaxelChEMBL
Paclitaxel-dhaChEMBL
Paclitaxel docosahexaenoic acidChEMBL
TaxoprexinChEMBL