(Q27104794)

2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one (English)

5 October 2016

chemical formula

C₉H₁₈N₅O₈P

1 reference

2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one (English)

5 October 2016

canonical SMILES

C(C(C(C(COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N

1 reference

2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one (English)

5 October 2016

isomeric SMILES

C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N

1 reference

2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one (English)

InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1

5 October 2016

Identifiers

InChI

1 reference

2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one (English)

5 October 2016

2 references

2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-Deoxy-1-[(2,5-diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]-5-O-phosphono-D-ribitol (English)

5 October 2016

1 reference

2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one (English)

5 October 2016

135911928

1 reference

Reaxys registry number

6443990

1 reference

2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone (English)

5 October 2016

ChEBI ID

52402

mapping relation type

2 references

2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1

DSSTox substance ID

DTXSID201344075

1 reference

Human Metabolome Database ID

HMDB0304043

2 references

based on heuristic

inferred from InChIKey

1 reference

2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone (English)