CHEBI:17294 - 4,21-dehydrogeissoschizine

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ChEBI Name 4,21-dehydrogeissoschizine
ChEBI ID CHEBI:17294
Definition An indole alkaloid that is the enol tautomer of geissoschizine, which is also dehydrogenated at the 4,21-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1738, CHEBI:20259, CHEBI:11918, CHEBI:58094
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Formula C21H23N2O3
Net Charge +1
Average Mass 351.41900
Monoisotopic Mass 351.17032
InChI InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/p+1/b13-3-/t16-,19-/m0/s1
InChIKey CUHFIPBCFIPFJM-JXSBNBLESA-O
SMILES [H][C@@]1(C[C@@]2([H])c3[nH]c4ccccc4c3CC[N+]2=C\C1=C\C)C(=C\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 )
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ChEBI Ontology
Outgoing 4,21-dehydrogeissoschizine (CHEBI:17294) has functional parent geissoschizine (CHEBI:17037)
4,21-dehydrogeissoschizine (CHEBI:17294) is a indole alkaloid (CHEBI:38958)
IUPAC Name
methyl (19E)-16-(hydroxymethylidene)coryna-4(21),19-dien-4-ium-17-oate
Synonyms Sources
4,21-dehydrogeissoschizine UniProt
4,21-Dehydrogeissoschizine KEGG COMPOUND
methyl (19E)-16-(hydroxymethylidene)-4,21-didehydrocoryn-19-en-4-ium-17-oate ChEBI
Manual Xrefs Databases
4,21-Dehydrogeissoschizine Wikipedia
421-DEHYDROGEISSOSCHIZINE MetaCyc
C00051782 KNApSAcK
C03677 KEGG COMPOUND
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Registry Numbers Types Sources
4723273 Reaxys Registry Number Reaxys
73385-56-5 CAS Registry Number KEGG COMPOUND
73385-56-5 CAS Registry Number KNApSAcK
Citation Waiting for Citations Type Source
16874388 PubMed citation Europe PMC
Last Modified
22 November 2018