Dehydroradiosumin (CHEBI:213057)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213057 - Dehydroradiosumin

Take structure to advanced search

ChEBI ID	CHEBI:213057
ChEBI Name	Dehydroradiosumin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H30N4O5
Net Charge	0
Average Mass	430.505
Monoisotopic Mass	430.22162
SMILES	CC(=O)N[C@@H](/C=C1/C=C[C@H](N)CC1)C(=O)N[C@@H](/C=C1\C=C[C@H](NC(C)=O)CC1)C(=O)O
InChI	InChI=1S/C22H30N4O5/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/h3,5,7,9,11-12,17-20H,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
InChIKey	ZKDJPRDXYUPPEK-GIQUKENKSA-N

Species of Metabolite	Component	Source	Comments
Anabaena cylindrica (ncbitaxon:1165)	-	PubMed (9644086)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Dehydroradiosumin (CHEBI:213057) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S,3Z)-2-[[(2S,3E)-2-acetamido-3-[(4R)-4-aminocyclohex-2-en-1-ylidene]propanoyl]amino]-3-[(4R)-4-acetamidocyclohex-2-en-1-ylidene]propanoic acid

Manual Xrefs	Databases
78438560	ChemSpider