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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > mo(vi)-molybdopterin cytosine dinucleotide(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > mo(vi)-molybdopterin cytosine dinucleotide(4-)

Preferred term

mo(vi)-molybdopterin cytosine dinucleotide(4-)  

Type

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

charge

  • -4

formula

  • C19H22MoN8O16P2S2

inchi

  • InChI=1S/C19H26N8O13P2S2.Mo.3O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14;;;;/h1-2,5-6,8,10-11,16-17,23,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H4,21,24,25,26,30);;;;/q;+1;;;-1/p-4/t5-,6-,8+,10-,11-,16-,17-;;;;/m1..../s1

inchikey

  • ZOPFRBWJOPZGAV-MQPNXHJTSA-J

mass

  • 840.440

monoisotopicmass

  • 841.91464

smiles

  • [H][C@]12NC3=C(N[C@@]1([H])C1=C(S[Mo-]([O-])(=O)(=O)S1)[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)O2)C(=O)NC(N)=N3

subset

  • 3_STAR

synonym EXACT

  • {5'-O-[{[{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-bis(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidinato(4-)}(trioxido)molybdate(4-)

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:71308

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