CHEBI:16829 - polyneuridine aldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name polyneuridine aldehyde
ChEBI ID CHEBI:16829
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8311, CHEBI:14858
Supplier Information
Download Molfile XML SDF
Formula C21H22N2O3
Net Charge 0
Average Mass 350.412
Monoisotopic Mass 350.16304
InChI InChI=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
InChIKey BRJNQOSDCDNITN-VDMSZYBVSA-N
SMILES C1C=2C=3C(NC2[C@]4(N5[C@@]1([C@]([C@](C4)(/C(/C5)=C(\C)/[H])[H])(C=O)C(OC)=O)[H])[H])=CC=CC3
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
Polyneuridine aldehyde KEGG COMPOUND
polyneuridine aldehyde UniProt
Manual Xrefs Databases
C00051791 KNApSAcK
C11632 KEGG COMPOUND
FDB031124 FooDB
POLYNEURIDINE-ALDEHYDE MetaCyc
View more database links
Citations Waiting for Citations Types Sources
20392128 PubMed citation Europe PMC
29942076 PubMed citation Europe PMC
Last Modified
22 November 2018