CHEBI:184034 - Cevadine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cevadine
ChEBI ID CHEBI:184034
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H49NO9
Net Charge 0
Average Mass 591.742
Monoisotopic Mass 591.34073
InChI InChI=1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1
InChIKey DBUCFOVFALNEOO-HWBIYQLFSA-N
SMILES O1[C@@]23[C@@]4([C@@]([C@@]1(O)[C@@H](OC(=O)/C(/C)=C\C)CC4)(CC[C@]2([C@@]5(O)[C@@](O)(C3)[C@]6([C@](O)([C@@H](O)C5)[C@](O)([C@]7(N(C6)C[C@H](CC7)C)[H])C)[H])[H])[H])C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
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 Cevadine (CHEBI:184034) is a alkaloid (CHEBI:22315)
IUPAC Name
[(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (Z)-2-methylbut-2-enoate
Manual Xref Database
4528662 ChemSpider
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