CHEBI:1322 - 3',4'-Anhydrovinblastine

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ChEBI Name 3',4'-Anhydrovinblastine
ChEBI ID CHEBI:1322
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C46H56N4O8
Net Charge 0
Average Mass 792.961
Monoisotopic Mass 792.40981
InChI InChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38+,39-,40-,43-,44-,45+,46+/m1/s1
InChIKey FFRFGVHNKJYNOV-DOVUUNBWSA-N
SMILES CCC1=C[C@H]2C[N@@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3',4'-Anhydrovinblastine (CHEBI:1322) is a methyl ester (CHEBI:25248)
3',4'-Anhydrovinblastine (CHEBI:1322) is a vinca alkaloid (CHEBI:27288)
Synonyms Sources
3',4'-Anhydrovinblastine KEGG COMPOUND
anhydrovincaleukoblastine DrugCentral
Manual Xrefs Databases
219 DrugCentral
C11641 KEGG COMPOUND
View more database links
Registry Number Type Source
38390-45-3 CAS Registry Number KEGG COMPOUND
Last Modified
09 March 2018