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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > nucleobase analogue > 6-[(1-deoxy-d-ribityl)methyl]-5-[(1e)-3-oxobut-1-en-1-yl]uracil
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > nucleobase analogue > 6-[(1-deoxy-d-ribityl)methyl]-5-[(1e)-3-oxobut-1-en-1-yl]uracil

Preferred term

6-[(1-deoxy-d-ribityl)methyl]-5-[(1e)-3-oxobut-1-en-1-yl]uracil  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C14H20N2O7

has_functional_parent

has_role

inchi

  • InChI=1S/C14H20N2O7/c1-7(18)2-3-8-9(15-14(23)16-13(8)22)4-5-10(19)12(21)11(20)6-17/h2-3,10-12,17,19-21H,4-6H2,1H3,(H2,15,16,22,23)/b3-2+/t10-,11+,12-/m0/s1

inchikey

  • YIGUGMFHMVTCHU-VUGGRDAHSA-N

mass

  • 328.321

monoisotopicmass

  • 328.12705

smiles

  • [C@H](O)(CCC1=C(C(NC(N1)=O)=O)/C=C/C(=O)C)[C@@H]([C@@H](CO)O)O

subset

  • 3_STAR

synonym EXACT

  • 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149716

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