CHEBI:224964 - Radiosumin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Radiosumin B
ChEBI ID CHEBI:224964
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32N4O5
Net Charge 0
Average Mass 444.532
Monoisotopic Mass 444.23727
InChI InChI=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
InChIKey DXOBDIZQMJWEAT-BMPSSULNSA-N
SMILES O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)C)/C=C\1/C=C[C@H](NC)CC1)/C=C\2/C=C[C@H](NC(=O)C)CC2
Metabolite of Species Details
Microcystis aeruginosa (NCBI:txid1126) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
8518882 ChemSpider
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