CHEBI:68031 - ent-Eusynstyelamide B, (rel)-

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ChEBI Name ent-Eusynstyelamide B, (rel)-
ChEBI ID CHEBI:68031
Definition A natural product found in Tegella cf. spitzbergensis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H40Br2N10O4
Net Charge 0
Average Mass 788.53300
Monoisotopic Mass 786.16008
InChI InChI=1S/C32H40Br2N10O4/c33-19-5-7-21-18(16-42-24(21)13-19)15-31(47)26(23-17-43-25-14-20(34)6-8-22(23)25)32(48,27(45)39-9-1-2-10-40-29(35)36)44(28(31)46)12-4-3-11-41-30(37)38/h5-8,13-14,16-17,26,42-43,47-48H,1-4,9-12,15H2,(H,39,45)(H4,35,36,40)(H4,37,38,41)/t26-,31+,32+/m1/s1
InChIKey AFCHPUCHYPXZGZ-GWTOPCPNSA-N
SMILES NC(=N)NCCCCNC(=O)[C@@]1(O)[C@H](c2c[nH]c3cc(Br)ccc23)[C@@](O)(Cc2c[nH]c3cc(Br)ccc23)C(=O)N1CCCCNC(N)=N
Metabolite of Species Details
Tegella cf. sp.tzbergensis (NCBI:txid546940) Lyophilized material of the bryozoan was extracted with CH2Cl2/MeOH (1:1) 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 ent-Eusynstyelamide B, (rel)- (CHEBI:68031) has role metabolite (CHEBI:25212)
ent-Eusynstyelamide B, (rel)- (CHEBI:68031) is a amino acid amide (CHEBI:22475)
Citation Waiting for Citations Type Source
21370896 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:indoles(CHEBI:24828); ISA:pyrrolidinecarboxamide(CHEBI:46770); ISA:aralkylamine(CHEBI:18000); ISA:organobromine compound(CHEBI:37141); ISA:pyrroles(CHEBI:26455); ISA:pyrrolidine-2-ones(CHEBI:74223); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:carboxamide(CHEBI:37622); ISA:tertiary alcohol(CHEBI:26878); ISA:lactam(CHEBI:24995); ISA:tertiary amine(CHEBI:32876); ISA:guanidines(CHEBI:24436); ISA:organonitrogen compound(CHEBI:35352); ISA:amino alcohol(CHEBI:22478); ISA:carboxylic acid(CHEBI:33575); ISA:imine(CHEBI:24783); ISA:carbonyl compound(CHEBI:36586);