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CHEBI:68033 - Eusynstyelamide E

ChEBI IDCHEBI:68033
ChEBI NameEusynstyelamide E
Stars
DefinitionA natural product found in Tegella cf. spitzbergensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H38Br2N8O4
Net Charge0
Average Mass746.505
Monoisotopic Mass744.13828
SMILESN=C(N)NCCCCN1C(=O)[C@](O)(Cc2cnc3cc(Br)ccc23)[C@@H](c2cnc3cc(Br)ccc23)[C@]1(O)C(=O)NCCCCN
InChIInChI=1S/C31H38Br2N8O4/c32-19-5-7-21-18(16-39-24(21)13-19)15-30(44)26(23-17-40-25-14-20(33)6-8-22(23)25)31(45,27(42)37-10-2-1-9-34)41(28(30)43)12-4-3-11-38-29(35)36/h5-8,13-14,16-17,26,39-40,44-45H,1-4,9-12,15,34H2,(H,37,42)(H4,35,36,38)/t26-,30+,31+/m1/s1
InChIKeyUZCOIZGXRQQQCW-JZRGNDHQSA-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)
Eusynstyelamide E (CHEBI:68033) has role metabolite (CHEBI:25212)
Eusynstyelamide E (CHEBI:68033) is a amino acid amide (CHEBI:22475)
Synonym  Source
(2S,3R,4S)-N-(4-aminobutyl)-3-(6-bromo-1H-indol-3-yl)-4-[(6-bromo-1H-indol-3-yl)methyl]-1-[4-(diaminomethylideneamino)butyl]-2,4-dihydroxy-5-oxopyrrolidine-2-carboxamideChEBI
Citations