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CHEBI:205486 - Radiosumin

ChEBI IDCHEBI:205486
ChEBI NameRadiosumin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32N4O5
Net Charge0
Average Mass432.521
Monoisotopic Mass432.23727
SMILESCC(=O)NC1CCC(=C[C@H](NC(=O)[C@H](/C=C2/C=C[C@H](N)CC2)NC(C)=O)C(=O)O)CC1
InChIInChI=1S/C22H32N4O5/c1-13(27)24-18-9-5-16(6-10-18)12-20(22(30)31)26-21(29)19(25-14(2)28)11-15-3-7-17(23)8-4-15/h3,7,11-12,17-20H,4-6,8-10,23H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)(H,30,31)/b15-11-,16-12?/t17-,18?,19-,20-/m0/s1
InChIKeyBZYYTAOQKTUZST-NRZWWCDRSA-N
Species of MetaboliteComponentSourceComments
Plectonema radiosum NIES-515 (ncbitaxon:2986073) - DOI (10.1021/jo961130m)
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 (CHEBI:205486) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2S,3E)-2-acetamido-3-[(4R)-4-aminocyclohex-2-en-1-ylidene]propanoyl]amino]-3-(4-acetamidocyclohexylidene)propanoic acid