1,3'-bis(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one (CHEBI:132162)

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CHEBI:132162 - 1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one

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ChEBI ID	CHEBI:132162
ChEBI Name	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one
Stars
ASCII Name	1,3'-bis(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one
Definition	An N-glycosyl compound that is a metabolite produced by the bacterium Mycoplasma genitalium.
Last Modified	8 July 2016
Submitter	Steve
Downloads	Molfile

Formula	C18H28N6O14P2
Net Charge	0
Average Mass	614.398
Monoisotopic Mass	614.11387
SMILES	NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(C2C=C3N2C(=O)N3[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C1N
InChI	InChI=1S/C18H28N6O14P2/c19-14-15(24(17(27)21-16(14)20)13-3-8(26)10(38-13)5-36-40(32,33)34)6-1-11-22(6)18(28)23(11)12-2-7(25)9(37-12)4-35-39(29,30)31/h1,6-10,12-15,25-26H,2-5,19H2,(H2,20,21,27)(H2,29,30,31)(H2,32,33,34)/t6?,7-,8-,9+,10+,12+,13+,14?,15?/m0/s1
InChIKey	HNKZTVMZVZCPAS-LSJQNWEUSA-N

Species of Metabolite	Component	Source	Comments
Mycoplasma genitalium (ncbitaxon:2097)	-	PubMed (22817898)

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	Mycoplasma genitalium metabolite Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.

ChEBI Ontology

Outgoing Relation(s)
	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one (CHEBI:132162) has role Mycoplasma genitalium metabolite (CHEBI:131604)
	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one (CHEBI:132162) is a N-glycosyl compound (CHEBI:21731)
	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one (CHEBI:132162) is a aminopyrimidine (CHEBI:38338)
	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one (CHEBI:132162) is a azabicycloalkane (CHEBI:38295)
	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one (CHEBI:132162) is a pyrimidone (CHEBI:38337)

Synonym	Source
dCMP64dCMP_dewar	ChEBI

Citations