CHEBI:143658 - vincristine(2+)

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ChEBI Name vincristine(2+)
ChEBI ID CHEBI:143658
Definition A vinca alkaloid cation resulting from the protonation of the two tertiary amino groups of vincristine. Major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C46H58N4O10
Net Charge +2
Average Mass 826.987
Monoisotopic Mass 826.41420
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/p+2/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
InChIKey OGWKCGZFUXNPDA-XQKSVPLYSA-P
SMILES C1=C(C(=CC2=C1N([C@@]3([C@@]24[C@@]5([C@]([C@H]([C@]3(O)C(=O)OC)OC(C)=O)(C=CC[NH+]5CC4)CC)[H])[H])C=O)[C@@]6(C=7NC8=CC=CC=C8C7CC[NH+]9C[C@](C[C@@H](C9)C6)(O)CC)C(OC)=O)OC
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing vincristine(2+) (CHEBI:143658) has role antineoplastic agent (CHEBI:35610)
vincristine(2+) (CHEBI:143658) is a vinca alkaloid cation (CHEBI:60082)
vincristine(2+) (CHEBI:143658) is conjugate acid of vincristine (CHEBI:28445)
Incoming vincristine sulfate (CHEBI:79401) has part vincristine(2+) (CHEBI:143658)
vincristine (CHEBI:28445) is conjugate base of vincristine(2+) (CHEBI:143658)
Synonym Source
vincristine UniProt
Last Modified
19 August 2019