loading...| Preferred Name | vincaleukoblastine | |
| Synonyms |
(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE (+)-vinblastine vinblastina VLB vinblastinum vinblastine vincaleukoblastine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_27375 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:4779207 CAS:865-21-4 PMID:25586069 Drug_Central:2823 PMID:26660762 PMID:20394103 PMID:35404502 KEGG:C07201 KNApSAcK:C00001781 KEGG:D08675 PMID:11878966 PDBeChem:VLB DrugBank:DB00570 Wikipedia:Vinblastine PMID:27518442 PMID:15917812 HMDB:HMDB0014710 PMID:22868758 |
|
| formula |
C46H58N4O9 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_alternative_id |
CHEBI:9983 CHEBI:27287 CHEBI:46447 |
|
| has_exact_synonym |
vincaleukoblastine |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE (+)-vinblastine vinblastina VLB vinblastinum vinblastine |
|
| id |
CHEBI:27375 |
|
| in_subset | ||
| inchi |
InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 |
|
| inchikey |
JXLYSJRDGCGARV-XQKSVPLYSA-N |
|
| label |
vincaleukoblastine |
|
| mass |
810.97410 |
|
| monoisotopicmass |
810.42038 |
|
| notation |
CHEBI:27375 |
|
| prefLabel |
vincaleukoblastine |
|
| smiles |
[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2CN(CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_38482 http://purl.obolibrary.org/obo/CHEBI_47622 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_38482 http://purl.obolibrary.org/obo/CHEBI_47622 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 |