CHEBI:8594 - Protoveratrine A

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ChEBI Name Protoveratrine A
ChEBI ID CHEBI:8594
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H63NO14
Net Charge 0
Average Mass 793.939
Monoisotopic Mass 793.42486
InChI InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1
InChIKey HYTGGNIMZXFORS-MGYKWWNKSA-N
SMILES CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@@]34O[C@@]5(O)[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3[C@]12O)[C@]4(C)CC[C@@H]5OC(=O)[C@@](C)(O)CC
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 Protoveratrine A (CHEBI:8594) is a alkaloid (CHEBI:22315)
Synonym Source
Protoveratrine A KEGG COMPOUND
Manual Xrefs Databases
C00002256 KNApSAcK
C10815 KEGG COMPOUND
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Registry Number Type Source
143-57-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014