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6-hydroxy-FAD

PropertiesImage
MNX_IDMNXM1108284 Image of MNXM1108284
referencechebi:40260
formulaC27H30N9O16P2
global charge-3
mol weight798.532
InChIKeyRUQAFCODKUVPLP-OKXKTURISA-K
InChIInChI=1S/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-38,40-42H,4-6H2,1-2H3,(H6,28,29,30,33,34,39,43,44,45,46,47,48)/p-3/t12-,13+,14+,19-,20+,21+,26+/m0/s1
SMILESCC1=CC2=C(N=C3C(=O)[N-]C(=O)N=C3N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)C(O)=C1C
MNX internals
InChI (mnx)InChI=1/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-38,40-42H,4-6H2,1-2H3,(H6,28,29,30,33,34,39,43,44,45,46,47,48)/t12-,13+,14+,19-,20+,21+,26+/m0/s1 Image of MNXM1108284
SMILES (mnx)[CH3:1][C:9]1=[CH:3][C:11]2=[C:15]([C:18]([O-:39])=[C:10]1[CH3:2])[N:32]=[C:17]1[C:24](=[N:33][C:27](=[O:44])[N:34]=[C:25]1[OH:43])[N:35]2[CH2:4][C@@H:12]([C@@H:19]([C@@H:13]([CH2:5][O:49][P:53]([OH:45])(=[O:46])[O:52][P:54](=[O:47])([OH:48])[O:50][CH2:6][C@@H:14]1[C@@H:20]([OH:41])[C@@H:21]([OH:42])[C@H:26]([N+:36]2=[CH:8][NH:31][C:16]3=[C:22]([NH2:28])[N:29]=[CH:7][N:30]=[C:23]32)[O:51]1)[OH:38])[OH:40])[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:40260
chebi:40260
RUQAFCODKUVPLP-OKXKTURISA-K 		6-hydroxy-FAD
6-HO-FAD
6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE
6-OH-Fad
6-hydroxy-fad
6-hydroxyflavin-adenine dinucleotide
6-hydroxyflavine-adenine dinucleotide
6-hydroxyriboflavin 5'-(trihydrogen diphosphate) 5'->5'-ester with adenosine
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentyl dihydrogen diphosphate
adenosine 5'-(3-{D-ribo-5-[6-hydroxy-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl} dihydrogen diphosphate)
adenosine 5'-(trihydrogen diphosphate) 5'->5'-ester with 6-hydroxyriboflavin
hmdb:HMDB0011612
RUQAFCODKUVPLP-OKXKTURISA-K 		6-Hydroxy flavin adenine dinucleotide
6-HO-FAD
6-HYDROXY-flavin-adenine dinucleotide
6-Hydroxy-7,8-dimethyl-10-(ribityl-5'-ADP)-isoalloxazine
6-Hydroxy-fad
6-Hydroxyflavin-adenine dinucleotide
6-Hydroxyflavine-adenine dinucleotide
6-Hydroxyriboflavin 5'-(trihydrogen diphosphate) 5'->5'-ester with adenosine
6-Hydroxyriboflavin 5'-(trihydrogen diphosphoric acid) 5'->5'-ester with adenosine
6-OH-Fad
6-hydroxy-fad
Adenosine 5'-(trihydrogen diphosphate) 5'->5'-ester with 6-hydroxyriboflavin
Adenosine 5'-(trihydrogen diphosphoric acid) 5'->5'-ester with 6-hydroxyriboflavin
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentyl dihydrogen diphosphate
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentyl dihydrogen diphosphoric acid
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4S)-2,3,4-trihydroxy-5-{6-hydroxy-7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentyl]oxy})phosphinic acid

metacyc.compound:CPD-17759
metacycM:CPD-17759
seed.compound:cpd32232
seedM:cpd32232
RUQAFCODKUVPLP-OKXKTURISA-K 		6-hydroxy-FAD

CHEBI:60470
chebi:60470
RUQAFCODKUVPLP-OKXKTURISA-K 		6-hydroxy-FAD
6-HO-FAD trianion
6-HO-FAD(3-)
6-OH-FAD trianion
6-OH-FAD(3-)
6-hydroxy-FAD trianion
6-hydroxy-FAD(3-)

hmdb:HMDB11612
seedM:M_cpd32232 		secondary/obsolete/fantasy identifier