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CHEBI:143658 - vincristine(2+)

ChEBI IDCHEBI:143658
ChEBI Namevincristine(2+)
Stars
DefinitionA vinca alkaloid cation resulting from the protonation of the two tertiary amino groups of vincristine. Major species at pH 7.3.
Last Modified19 August 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC46H58N4O10
Net Charge+2
Average Mass826.988
Monoisotopic Mass826.41420
SMILES[H][C@@]12N(C=O)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C[N@H+](CCc6c4nc4ccccc64)C[C@](O)(CC)C5)cc3[C@@]13CC[NH+]1CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@]13[H]
InChIInChI=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
InChIKeyOGWKCGZFUXNPDA-XQKSVPLYSA-P
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
vincristine sulfate (CHEBI:79401) has part vincristine(2+) (CHEBI:143658)
vincristine (CHEBI:28445) is conjugate base of vincristine(2+) (CHEBI:143658)
UniProt Name  Source
vincristineUniProt