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CHEBI:59923 - coenzyme α-F420-3(6−)

ChEBI IDCHEBI:59923
ChEBI Namecoenzyme α-F420-3(6−)
Stars
ASCII Namecoenzyme alpha-F420-3(6-)
DefinitionThe hexaanion of coenzyme α-F420-3 arising from deprotonation of the carboxylic acid and phosphate functions as well as the 3-position on the pyrimidinoquinoline ring system; major species at pH 7.3.
Last Modified18 November 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC34H37N6O21P
Net Charge-6
Average Mass896.665
Monoisotopic Mass896.17823
SMILESC[C@H](OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[n-]c(=O)c-2cc2ccc(O)cc21)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C34H43N6O21P/c1-14(29(49)37-20(33(55)56)5-8-25(45)35-18(31(51)52)4-7-24(44)36-19(32(53)54)6-9-26(46)47)61-62(58,59)60-13-23(43)27(48)22(42)12-40-21-11-16(41)3-2-15(21)10-17-28(40)38-34(57)39-30(17)50/h2-3,10-11,14,18-20,22-23,27,42-43,48H,4-9,12-13H2,1H3,(H10,35,36,37,38,39,41,44,45,46,47,49,50,51,52,53,54,55,56,57,58,59)/p-6/t14-,18-,19-,20-,22-,23+,27-/m0/s1
InChIKeyRFMKQXORIIBSKL-LROHGRLLSA-H
ChEBI Ontology
Outgoing Relation(s)
coenzyme α-F420-3(6−) (CHEBI:59923) is a ribitol phosphate (CHEBI:26554)
coenzyme α-F420-3(6−) (CHEBI:59923) is a tetracarboxylic acid anion (CHEBI:35754)
coenzyme α-F420-3(6−) (CHEBI:59923) is conjugate base of coenzyme α-F420-3(5−) (CHEBI:59539)
Incoming Relation(s)
coenzyme α-F420-3(5−) (CHEBI:59539) is conjugate acid of coenzyme α-F420-3(6−) (CHEBI:59923)
IUPAC Name 
5-O-({[(2S)-1-{[(1S)-1-carboxylato-4-{[(1S)-1-carboxylato-4-{[(1S)-1,3-dicarboxylatopropyl]amino}-4-oxobutyl]amino}-4-oxobutyl]amino}-1-oxopropan-2-yl]oxy}phosphinato)-1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol
Synonyms  Source
coenzyme α-F420-3 hexaanionChEBI
α-F420-3(6−)ChEBI
α-F420-3 hexaanionChEBI
UniProt Name  Source
oxidized coenzyme α-F420-3UniProt