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CHEBI:224964 - Radiosumin B

ChEBI IDCHEBI:224964
ChEBI NameRadiosumin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32N4O5
Net Charge0
Average Mass444.532
Monoisotopic Mass444.23727
SMILESCN[C@H]1C=C/C(=C/[C@H](NC(C)=O)C(=O)N[C@@H](/C=C2/C=C[C@H](NC(C)=O)CC2)C(=O)O)CC1
InChIInChI=1S/C23H32N4O5/c1-14(28)25-19-10-6-17(7-11-19)13-21(23(31)32)27-22(30)20(26-15(2)29)12-16-4-8-18(24-3)9-5-16/h4,6,8,10,12-13,18-21,24H,5,7,9,11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)(H,31,32)/b16-12-,17-13-/t18-,19-,20-,21-/m0/s1
InChIKeyDXOBDIZQMJWEAT-BMPSSULNSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - PubMed (11374973)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Radiosumin B (CHEBI:224964) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S,3E)-3-[(4R)-4-acetamidocyclohex-2-en-1-ylidene]-2-[[(2S,3E)-2-acetamido-3-[(4R)-4-(methylamino)cyclohex-2-en-1-ylidene]propanoyl]amino]propanoic acid
Manual XrefsDatabases
8518882ChemSpider