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CHEBI:67771 - Xestoproxamine C, (rel)-
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ChEBI Name
Xestoproxamine C, (rel)-
ChEBI ID
CHEBI:67771
Definition
A natural product found in
Neopetrosia proxima
.
Stars
This entity has been manually annotated by a third party.
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Formula
C31H56N2
Net Charge
0
Average Mass
456.78970
Monoisotopic Mass
456.44435
InChI
InChI=1S/C31H56N2/c1-
27-
15-
11-
7-
6-
9-
13-
17-
29-
25-
32-
20-
14-
10-
5-
3-
2-
4-
8-
12-
16-
28-
23-
30(31(29)
19-
22-
32)
26-
33(24-
28)
21-
18-
27/h4,8,27-
31H,2-
3,5-
7,9-
26H2,1H3/b8-
4-
/t27-
,28-
,29+,30+,31-
/m0/s1
InChIKey
ASUYCOBPLIZBDP-OBDYYNBNSA-N
SMILES
[H][C@@]12CC\C=C/CCCCCCN3CC[C@@]4([H])[C@]([H])(CCCCCCC[C@H](C)CCN(C1)C[C@@]4([H])C2)C3
Metabolite of Species
Details
Neopetrosia proxima
(WORMS:378581)
The sample was extracted with methanol and then with CH2Cl2/MeOH See:
PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Xestoproxamine C, (rel)- (
CHEBI:67771
)
has role
metabolite (
CHEBI:25212
)
Xestoproxamine C, (rel)- (
CHEBI:67771
)
is a
piperidines (
CHEBI:26151
)
Synonym
Source
rel-
(4S,12S,13S,23Z,27S,29S)-
4-
Methyl-
1,16-
diazatetracyclo[25.3.1.1(12,16).0(13,29)]dotriacont-
23-
ene
ChEBI
Citation
Type
Source
21341726
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:tertiary amine(CHEBI:32876);