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CHEBI:42351 - 1,2-dideoxy-[5-([9-hydroxyaflatoxin(B2)-8-yl]formylamino)isocytosin-6-ylamino]ribofuranose 5-monophosphate

ChEBI IDCHEBI:42351
ChEBI Name1,2-dideoxy-[5-([9-hydroxyaflatoxin(B2)-8-yl]formylamino)isocytosin-6-ylamino]ribofuranose 5-monophosphate
Stars
ASCII Name1,2-dideoxy-[5-([9-hydroxyaflatoxin(B2)-8-yl]formylamino)isocytosin-6-ylamino]ribofuranose 5-monophosphate
Last Modified10 January 2008
DownloadsMolfile
FormulaC27H28N5O15P
Net Charge0
Average Mass693.515
Monoisotopic Mass693.13195
SMILES[H]O[C@]1([H])[C@@]2([H])c3c(c([H])c(OC([H])([H])[H])c4c5c(c(=O)oc34)C(=O)C([H])([H])C5([H])[H])O[C@@]2([H])O[C@@]1([H])N(C([H])=O)c1c(N([H])[C@]2([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])C2([H])[H])nc(N([H])[H])n([H])c1=O
InChIInChI=1S/C27H28N5O15P/c1-42-11-5-12-17(21-16(11)8-2-3-9(34)15(8)25(38)46-21)18-20(36)24(47-26(18)45-12)32(7-33)19-22(30-27(28)31-23(19)37)29-14-4-10(35)13(44-14)6-43-48(39,40)41/h5,7,10,13-14,18,20,24,26,35-36H,2-4,6H2,1H3,(H2,39,40,41)(H4,28,29,30,31,37)/t10-,13+,14+,18+,20+,24+,26-/m0/s1
InChIKeyATYDIVLPRYGUHN-MHRKVAGWSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-dideoxy-[5-([9-hydroxyaflatoxin(B2)-8-yl]formylamino)isocytosin-6-ylamino]ribofuranose 5-monophosphate (CHEBI:42351) has functional parent 2-amino-4-hydroxypyrimidine (CHEBI:55502)
1,2-dideoxy-[5-([9-hydroxyaflatoxin(B2)-8-yl]formylamino)isocytosin-6-ylamino]ribofuranose 5-monophosphate (CHEBI:42351) has functional parent aflatoxin B2 (CHEBI:48209)
1,2-dideoxy-[5-([9-hydroxyaflatoxin(B2)-8-yl]formylamino)isocytosin-6-ylamino]ribofuranose 5-monophosphate (CHEBI:42351) is a N-glycosyl compound (CHEBI:21731)
1,2-dideoxy-[5-([9-hydroxyaflatoxin(B2)-8-yl]formylamino)isocytosin-6-ylamino]ribofuranose 5-monophosphate (CHEBI:42351) is a 1,2-dideoxyribose phosphate (CHEBI:47894)
Synonym  Source
N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylaminePDBeChem
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