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CHEBI:184034 - Cevadine

ChEBI IDCHEBI:184034
ChEBI NameCevadine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H49NO9
Net Charge0
Average Mass591.742
Monoisotopic Mass591.34073
SMILES[H][C@@]12CC[C@@]3([H])[C@]4(C)CC[C@H](OC(=O)/C(C)=C\C)[C@@]3(O)O[C@]14C[C@@]1(O)[C@]3([H])CN4C[C@@H](C)CC[C@@]4([H])[C@@](C)(O)[C@@]3(O)[C@@H](O)C[C@@]21O
InChIInChI=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
InChIKeyDBUCFOVFALNEOO-HWBIYQLFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
4528662ChemSpider