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CHEBI:16829 - polyneuridine aldehyde

ChEBI IDCHEBI:16829
ChEBI Namepolyneuridine aldehyde
Stars
Secondary ChEBI IDsCHEBI:8311, CHEBI:14858
Last Modified22 November 2018
DownloadsMolfile
FormulaC21H22N2O3
Net Charge0
Average Mass350.418
Monoisotopic Mass350.16304
SMILES[H]/C(C)=C1\CN2[C@@]3([H])C[C@@]1([H])[C@@](C=O)(C(=O)OC)[C@]2([H])Cc1c3nc2ccccc12
InChIInChI=1S/C21H22N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,11,15,17-18,22H,8-10H2,1-2H3/b12-3-/t15-,17+,18+,21-/m1/s1
InChIKeyBRJNQOSDCDNITN-VDMSZYBVSA-N
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)
polyneuridine aldehyde (CHEBI:16829) has functional parent sarpagine (CHEBI:9036)
polyneuridine aldehyde (CHEBI:16829) is a aldehyde (CHEBI:17478)
polyneuridine aldehyde (CHEBI:16829) is a alkaloid ester (CHEBI:38481)
polyneuridine aldehyde (CHEBI:16829) is a methyl ester (CHEBI:25248)
polyneuridine aldehyde (CHEBI:16829) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
methyl (15α,16R,19E)-17-oxosarpagan-16-carboxylate
Synonym  Source
Polyneuridine aldehydeKEGG COMPOUND
UniProt Name  Source
polyneuridine aldehydeUniProt
Manual XrefsDatabases
C11632KEGG COMPOUND
POLYNEURIDINE-ALDEHYDEMetaCyc
C00051791KNApSAcK
FDB031124FooDB
Citations