loading...| Preferred Name |
3'-N-debenzoyl-2'-deoxytaxol |
| Synonyms |
beta-Phenylalanoyl baccatin III (2alpha,3xi,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-13-{[(3R)-3-amino-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate 13-O-beta-Phenylalanoylbaccatin III |
| Definitions |
A taxane diterpenoid that is 3'-N-debenzoyltaxol which is lacking the 2-hydroxy group. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_74030 |
| charge |
0 |
| database_cross_reference |
KEGG:C16523 Reaxys:19573662 MetaCyc:CPD-12845 |
| definition |
A taxane diterpenoid that is 3'-N-debenzoyltaxol which is lacking the 2-hydroxy group. |
| formula |
C40H47NO12 |
| has functional parent | |
| has role | |
| has_exact_synonym |
(2alpha,3xi,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-13-{[(3R)-3-amino-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
beta-Phenylalanoyl baccatin III 13-O-beta-Phenylalanoylbaccatin III |
| id |
CHEBI:74030 |
| in_subset | |
| inchi |
InChI=1S/C40H47NO12/c1-21-27(51-30(45)17-26(41)24-13-9-7-10-14-24)19-40(48)35(52-36(47)25-15-11-8-12-16-25)33-38(6,28(44)18-29-39(33,20-49-29)53-23(3)43)34(46)32(50-22(2)42)31(21)37(40,4)5/h7-16,26-29,32-33,35,44,48H,17-20,41H2,1-6H3/t26-,27+,28+,29-,32-,33?,35+,38-,39+,40-/m1/s1 |
| inchikey |
YNAFMBLTFSPCAE-ZPROQBANSA-N |
| is conjugate base of | |
| label |
3'-N-debenzoyl-2'-deoxytaxol |
| mass |
733.80070 |
| monoisotopicmass |
733.30983 |
| notation |
CHEBI:74030 |
| prefLabel |
3'-N-debenzoyl-2'-deoxytaxol |
| smiles |
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)C2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)C[C@@H](N)c3ccccc3)C(C)=C1C2(C)C |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_50994 http://purl.obolibrary.org/obo/CHEBI_47622 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50994 http://purl.obolibrary.org/obo/CHEBI_47622 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| There are currently no mappings for this class. | |||