Fosfadecin (CHEBI:224660)

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CHEBI:224660 - Fosfadecin

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ChEBI ID	CHEBI:224660
ChEBI Name	Fosfadecin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H19N5O10P2
Net Charge	0
Average Mass	467.268
Monoisotopic Mass	467.06072
SMILES	C[C@@H]1O[C@@H]1P(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
InChI	InChI=1S/C13H19N5O10P2/c1-5-13(26-5)29(21,22)28-30(23,24)25-2-6-8(19)9(20)12(27-6)18-4-17-7-10(14)15-3-16-11(7)18/h3-6,8-9,12-13,19-20H,2H2,1H3,(H,21,22)(H,23,24)(H2,14,15,16)/t5-,6+,8-,9-,12+,13+/m0/s1
InChIKey	XLKKASKVRUMAHE-ZNVLBRCZSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonas (ncbitaxon:286)	-	PubMed (2182591)

ChEBI Ontology

Outgoing Relation(s)
	Fosfadecin (CHEBI:224660) is a purine ribonucleoside monophosphate (CHEBI:26397)

IUPAC Name
[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[(2R,3S)-3-methyloxiran-2-yl]phosphinic acid