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> Main
CHEBI:16829 - polyneuridine aldehyde
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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
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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,16
R
,19
E
)-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
Types
Sources
20392128
PubMed citation
Europe PMC
29942076
PubMed citation
Europe PMC
Last Modified
22 November 2018