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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
docetaxel anhydrous [CHEBI:4672] (1)
05. Industrial Uses
05. Industrial Uses
docetaxel anhydrous [CHEBI:4672] (1)
docetaxel anhydrous [CHEBI:4672] (1)
08. Chemical Category
08. Chemical Category
docetaxel anhydrous [CHEBI:4672] (1)
docetaxel anhydrous [CHEBI:4672] (1)
ChEBI Compound Accession Identifier :
[CHEBI:4672]
ChEBI Compound Description :
A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.
ChEBI Compound Identification Number :
4672
ChEBI InChI Value :
InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
ChEBI InChIKey Value :
ZDZOTLJHXYCWBA-VCVYQWHSSA-N
ChEBI Compound Name :
docetaxel anhydrous
ChEBI SMILES Value :
[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
ChEBI Substance ID :
99319097
ChEBI URL :
ChEBI:4672
ChemSpider ID :
130581
Ontomatica Chemical Accession Key (OnChAKey) :
ZDZOTLJHXYCWBA_VCVYQWHSSA_N_000_000000
PubChem Compound ID :
148124