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

ChEBI IDCHEBI:68031
ChEBI Nameent-Eusynstyelamide B, (rel)-
Stars
DefinitionA natural product found in Tegella cf. spitzbergensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H40Br2N10O4
Net Charge0
Average Mass788.546
Monoisotopic Mass786.16007
SMILESN=C(N)NCCCCNC(=O)[C@@]1(O)[C@H](c2cnc3cc(Br)ccc23)[C@@](O)(Cc2cnc3cc(Br)ccc23)C(=O)N1CCCCNC(=N)N
InChIInChI=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
InChIKeyAFCHPUCHYPXZGZ-GWTOPCPNSA-N
Species of MetaboliteComponentSourceComments
Tegella cf. spitzbergensis (ncbitaxon:546940) - PubMed (21370896) Lyophilized material of the bryozoan was extracted with CH2Cl2/MeOH (1:1)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ent-Eusynstyelamide B, (rel)- (CHEBI:68031) has role metabolite (CHEBI:25212)
ent-Eusynstyelamide B, (rel)- (CHEBI:68031) is a amino acid amide (CHEBI:22475)
Citations