isatoribine (CHEBI:751223)

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CHEBI:751223 - isatoribine

Formula	C10H12N4O6S
Net Charge	0
Average Mass	316.295
Monoisotopic Mass	316.04776
SMILES	Nc1nc(=O)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChI	InChI=1S/C10H12N4O6S/c11-9-12-6-5(7(18)13-9)21-10(19)14(6)8-4(17)3(16)2(1-15)20-8/h2-4,8,15-17H,1H2,(H3,11,12,13,18)/t2-,3-,4-,8-/m1/s1
InChIKey	TZYVRXZQAWPIAB-FCLHUMLKSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	isatoribine (CHEBI:751223) is a 9,11,15-octadecatrienoic acid (CHEBI:38387)

Citations