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CHEBI:142775 - FADH2-C4α-hydroperoxide(2−)

ChEBI IDCHEBI:142775
ChEBI NameFADH2-C4α-hydroperoxide(2−)
Stars
ASCII NameFADH2-C4alpha-hydroperoxide(2-)
DefinitionA FADH2 analogue obtained by hydroperoxidation at the C4α-position; major species at pH 7.3.
Last Modified27 February 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H33N9O17P2
Net Charge-2
Average Mass817.555
Monoisotopic Mass817.14806
SMILESCc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)C1=NC(=O)NC(=O)C1(OO)N2
InChIInChI=1S/C27H35N9O17P2/c1-10-3-12-13(4-11(10)2)35(24-27(34-12,52-44)25(42)33-26(43)32-24)5-14(37)18(39)15(38)6-49-54(45,46)53-55(47,48)50-7-16-19(40)20(41)23(51-16)36-9-31-17-21(28)29-8-30-22(17)36/h3-4,8-9,14-16,18-20,23,34,37-41,44H,5-7H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,33,42,43)/p-2/t14-,15+,16+,18-,19+,20+,23+,27?/m0/s1
InChIKeyGPSQSNUPRVYZDD-XDHWKVHASA-L
ChEBI Ontology
Outgoing Relation(s)
FADH2-C4α-hydroperoxide(2−) (CHEBI:142775) has functional parent FADH2(2−) (CHEBI:58307)
FADH2-C4α-hydroperoxide(2−) (CHEBI:142775) is a organophosphate oxoanion (CHEBI:58945)
UniProt Name  Source
FADH2-C4α-hydroperoxideUniProt
Citations