loading...| Preferred Name |
vindesine |
|
| Synonyms |
methyl (5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate 3-carbamoyl-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine 3-carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine 3-(aminocarbonyl)-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine desacetylvinblastine amide |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_36373 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:7162300 CAS:53643-48-4 DrugBank:DB00309 |
|
| formula |
C43H55N5O7 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
methyl (5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate 3-carbamoyl-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3-carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine 3-(aminocarbonyl)-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine desacetylvinblastine amide |
|
| id |
CHEBI:36373 |
|
| in_subset | ||
| inchi |
InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1 |
|
| inchikey |
HHJUWIANJFBDHT-KOTLKJBCSA-N |
|
| label |
vindesine |
|
| mass |
753.92610 |
|
| monoisotopicmass |
753.41015 |
|
| notation |
CHEBI:36373 |
|
| prefLabel |
vindesine |
|
| smiles |
[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_140324 http://purl.obolibrary.org/obo/CHEBI_38164 http://purl.obolibrary.org/obo/CHEBI_27288 http://purl.obolibrary.org/obo/CHEBI_26878 http://purl.obolibrary.org/obo/CHEBI_25248 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_140324 http://purl.obolibrary.org/obo/CHEBI_38164 http://purl.obolibrary.org/obo/CHEBI_27288 http://purl.obolibrary.org/obo/CHEBI_26878 http://purl.obolibrary.org/obo/CHEBI_25248 |