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3'-N-debenzoyltaxol
A taxane diterpenoid that is paclitaxel which is lacking the N-benzoyl group. It is a biosynthetic precursor of paclitaxel.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > metabolite [CHEBI:25212] > secondary metabolite [CHEBI:26619] > 3'-N-debenzoyltaxol [CHEBI:63862]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 organonitrogen compound [CHEBI:35352] (6705) 
 organic amino compound [CHEBI:50047] (2472) 
 primary amino compound [CHEBI:50994] (104) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 diterpenoid [CHEBI:23849] (265) 
 taxane diterpenoid [CHEBI:50367] (11) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 tetracyclic diterpenoid [CHEBI:52557] (25) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 diterpenoid [CHEBI:23849] (265) 
 taxane diterpenoid [CHEBI:50367] (11) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 tetracyclic diterpenoid [CHEBI:52557] (25) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 organic amino compound [CHEBI:50047] (2472) 
 primary amino compound [CHEBI:50994] (104) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 ester [CHEBI:35701] (3370) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 organic amino compound [CHEBI:50047] (2472) 
 primary amino compound [CHEBI:50994] (104) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 3'-N-debenzoyltaxol [CHEBI:63862] (1)
ChEBI Compound Accession Identifier  [CHEBI:63862]
ChEBI Compound Description  A taxane diterpenoid that is paclitaxel which is lacking the N-benzoyl group. It is a biosynthetic precursor of paclitaxel.
ChEBI Compound Identification Number  63862
ChEBI InChI Value  InChI=1S/C40H47NO13/c1-20-25(52-36(48)30(45)29(41)23-13-9-7-10-14-23)18-40(49)34(53-35(47)24-15-11-8-12-16-24)32-38(6,26(44)17-27-39(32,19-50-27)54-22(3)43)33(46)31(51-21(2)42)28(20)37(40,4)5/h7-16,25-27,29-32,34,44-45,49H,17-19,41H2,1-6H3/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1
ChEBI InChIKey Value  DLACRDONFBNRSP-KWIOUIIFSA-N
ChEBI Compound Name  3'-N-debenzoyltaxol
ChEBI SMILES Value  [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](N)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C
ChEBI Substance ID  135611083
ChEBI URL  ChEBI:63862
ChemSpider ID  7986456
Ontomatica Chemical Accession Key (OnChAKey)  DLACRDONFBNRSP_KWIOUIIFSA_N_000_000000
PubChem Compound ID  9810701