CHEBI:67769 - Xestoproxamine A, (rel)-

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ChEBI Name Xestoproxamine A, (rel)-
ChEBI ID CHEBI:67769
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 C30H52N2
Net Charge 0
Average Mass 440.74730
Monoisotopic Mass 440.41305
InChI InChI=1S/C30H52N2/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/h5-6,9-10,27-30H,1-4,7-8,11-26H2/b9-5-,10-6-/t27-,28-,29+,30-/m0/s1
InChIKey MEZYUJANHMJTGP-HCBWJYQNSA-N
SMILES [H][C@@]12CC\C=C/CCCCCCN3CC[C@@]4([H])[C@@]([H])(CC\C=C/CCCCCCN(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 A, (rel)- (CHEBI:67769) has role metabolite (CHEBI:25212)
Xestoproxamine A, (rel)- (CHEBI:67769) is a piperidines (CHEBI:26151)
Synonym Source
rel-(8Z,12R,13S,23Z,27S,29S)-1,16-Diazatetracyclo[25.3.1.1(12,16).0(13,29)]dotriaconta-8,23-diene 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);