Ascamycin (CHEBI:225008)

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CHEBI:225008 - Ascamycin

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ChEBI ID	CHEBI:225008
ChEBI Name	Ascamycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H18ClN7O7S
Net Charge	0
Average Mass	451.849
Monoisotopic Mass	451.06769
SMILES	C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChI	InChI=1S/C13H18ClN7O7S/c1-4(15)11(24)20-29(25,26)27-2-5-7(22)8(23)12(28-5)21-3-17-6-9(16)18-13(14)19-10(6)21/h3-5,7-8,12,22-23H,2,15H2,1H3,(H,20,24)(H2,16,18,19)/t4-,5+,7+,8+,12-/m0/s1
InChIKey	LZMCAAGVMFMSKC-UJYPAJPOSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (6547710)

ChEBI Ontology

Outgoing Relation(s)
	Ascamycin (CHEBI:225008) is a purine nucleoside (CHEBI:26394)

IUPAC Name
[(2R,3S,4R,5S)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-aminopropanoyl]sulamate

Manual Xrefs	Databases
78443279	ChemSpider