Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:67770 - Xestoproxamine B, (rel)-
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Xestoproxamine B, (rel)-
ChEBI ID
CHEBI:67770
Definition
A natural product found in
Neopetrosia proxima
.
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C30H54N2
Net Charge
0
Average Mass
442.76320
Monoisotopic Mass
442.42870
InChI
InChI=1S/C30H54N2/c1-
3-
7-
11-
15-
20-
31-
22-
19-
30-
28(25-
31)
18-
14-
10-
6-
2-
4-
8-
12-
16-
21-
32-
24-
27(17-
13-
9-
5-
1)
23-
29(30)
26-
32/h5,9,27-
30H,1-
4,6-
8,10-
26H2/b9-
5-
/t27-
,28-
,29+,30-
/m0/s1
InChIKey
BYZUJRCVLKUHIW-XIJZRPANSA-N
SMILES
[H][C@@]12CC\C=C/CCCCCCN3CC[C@@]4([H])[C@@]([H])(CCCCCCCCCCN(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 B, (rel)- (
CHEBI:67770
)
has role
metabolite (
CHEBI:25212
)
Xestoproxamine B, (rel)- (
CHEBI:67770
)
is a
piperidines (
CHEBI:26151
)
Synonym
Source
rel-(12R,13S,23Z,27S,29S)-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);