CHEBI:28445 - vincristine

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ChEBI Name vincristine
ChEBI ID CHEBI:28445
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:27289, CHEBI:9987
Supplier Information
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Formula C46H56N4O10
Net Charge 0
Average Mass 824.95780
Monoisotopic Mass 824.400
InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
InChIKey OGWKCGZFUXNPDA-XQKSVPLYSA-N
SMILES [H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC
Roles Classification
Biological Role(s): tubulin modulator
Any substance that interacts with tubulin to inhibit or promote polymerisation of microtubules.
microtubule-destabilising agent
Any substance that interacts with tubulin to inhibit polymerisation of microtubules.
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 vincristine (CHEBI:28445) has parent hydride vincaleukoblastine (CHEBI:27375)
vincristine (CHEBI:28445) has role microtubule-destabilising agent (CHEBI:61951)
vincristine (CHEBI:28445) has role tubulin modulator (CHEBI:60832)
vincristine (CHEBI:28445) is a acetate ester (CHEBI:47622)
vincristine (CHEBI:28445) is a formamides (CHEBI:24079)
vincristine (CHEBI:28445) is a methyl ester (CHEBI:25248)
vincristine (CHEBI:28445) is a organic heteropentacyclic compound (CHEBI:38164)
vincristine (CHEBI:28445) is a organic heterotetracyclic compound (CHEBI:38163)
vincristine (CHEBI:28445) is a tertiary alcohol (CHEBI:26878)
vincristine (CHEBI:28445) is a tertiary amino compound (CHEBI:50996)
vincristine (CHEBI:28445) is a vinca alkaloid (CHEBI:27288)
IUPAC Name
22-oxovincaleukoblastine
Synonyms Sources
22-Oxovincaleukoblastine KEGG COMPOUND
leurocristine ChemIDplus
Vincristine KEGG COMPOUND
Database Links Databases
C00001783 KNApSAcK
C07204 KEGG COMPOUND
D08679 KEGG DRUG
DB00541 DrugBank
View more database links
Registry Numbers Types Sources
4779289 Beilstein Registry Number Beilstein
57-22-7 CAS Registry Number KEGG COMPOUND
57-22-7 CAS Registry Number ChemIDplus
Last Modified
22 February 2017