1,3'-bis(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione (CHEBI:132163)

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CHEBI:132163 - 1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione

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ChEBI ID	CHEBI:132163
ChEBI Name	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione
Stars
ASCII Name	1,3'-bis(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione
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	C19H29N5O15P2
Net Charge	0
Average Mass	629.409
Monoisotopic Mass	629.11354
SMILES	CC1(N)C(=O)NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C1C1C=C2N1C(=O)N2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1
InChI	InChI=1S/C19H29N5O15P2/c1-19(20)15(24(17(28)21-16(19)27)14-4-9(26)11(39-14)6-37-41(33,34)35)7-2-12-22(7)18(29)23(12)13-3-8(25)10(38-13)5-36-40(30,31)32/h2,7-11,13-15,25-26H,3-6,20H2,1H3,(H,21,27,28)(H2,30,31,32)(H2,33,34,35)/t7?,8-,9-,10+,11+,13+,14+,15?,19?/m0/s1
InChIKey	NLRCQHCEPRTACN-PBBWHBDVSA-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)-5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione (CHEBI:132163) has role Mycoplasma genitalium metabolite (CHEBI:131604)
	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione (CHEBI:132163) is a N-glycosyl compound (CHEBI:21731)
	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione (CHEBI:132163) is a aminopyrimidine (CHEBI:38338)
	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione (CHEBI:132163) is a azabicycloalkane (CHEBI:38295)
	1,3'-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione (CHEBI:132163) is a pyrimidone (CHEBI:38337)

Synonym	Source
dCMP64dTMP_dewar	ChEBI

Citations