CHEBI:67770 - Xestoproxamine B, (rel)-

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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
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.
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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 Waiting for Citations Type Source
21341726 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:tertiary amine(CHEBI:32876);