Cadeguomycin (CHEBI:223330)

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CHEBI:223330 - Cadeguomycin

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ChEBI ID	CHEBI:223330
ChEBI Name	Cadeguomycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14N4O7
Net Charge	0
Average Mass	326.265
Monoisotopic Mass	326.08625
SMILES	Nc1nc(=O)c2c(C(=O)O)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1
InChI	InChI=1S/C12H14N4O7/c13-12-14-8-5(9(20)15-12)3(11(21)22)1-16(8)10-7(19)6(18)4(2-17)23-10/h1,4,6-7,10,17-19H,2H2,(H,21,22)(H3,13,14,15,20)/t4-,6-,7+,10-/m1/s1
InChIKey	LVTNUSALLLYISD-UHTZMRCNSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (7076576)

ChEBI Ontology

Outgoing Relation(s)
	Cadeguomycin (CHEBI:223330) is a nucleobase-containing molecular entity (CHEBI:61120)

IUPAC Name
2-amino-7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

Manual Xrefs	Databases
78443079	ChemSpider