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FAD

PropertiesImage
MNX_IDMNXM1364149 Image of MNXM1364149
referencechebi:57692
formulaC27H33N9O15P2
global charge0
mol weight785.557
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
SMILESCC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]1O)C1=NC(=O)NC(=O)C1=N2
MNX internals
InChI (mnx)InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 Image of MNXM1364149
SMILES (mnx)[CH3:1][C:10]1=[CH:3][C:12]2=[C:13]([CH:4]=[C:11]1[CH3:2])[N:35]([CH2:5][C@@H:14]([C@@H:19]([C@@H:15]([CH2:6][O:48][P:52]([OH:44])(=[O:45])[O:51][P:53]([OH:46])(=[O:47])[O:49][CH2:7][C@@H:16]1[C@@H:20]([OH:40])[C@@H:21]([OH:41])[C@H:26]([N:36]3[CH:9]=[N:31][C:17]4=[C:22]([NH2:28])[N:29]=[CH:8][N:30]=[C:23]43)[O:50]1)[OH:38])[OH:39])[OH:37])[C:24]1=[N:33][C:27](=[O:43])[N:34]=[C:25]([OH:42])[C:18]1=[N:32]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)812
in models (compartimentalized) 521
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-113596
reactomeM:R-ALL-113596
reactome:R-ALL-113597
reactomeM:R-ALL-113597
reactome:R-ALL-141335
reactomeM:R-ALL-141335
reactome:R-ALL-141707
reactomeM:R-ALL-141707
reactome:R-ALL-189484
reactomeM:R-ALL-189484
reactome:R-ALL-2160490
reactomeM:R-ALL-2160490
reactome:R-ALL-217259
reactomeM:R-ALL-217259
reactome:R-ALL-29386
reactomeM:R-ALL-29386
reactome:R-ALL-9861429
reactomeM:R-ALL-9861429
CHEBI:57692
chebi:57692
VWWQXMAJTJZDQX-UYBVJOGSSA-N 		FAD
FAD trianion
FAD(3-)
hmdb:HMDB0001248
VWWQXMAJTJZDQX-UYBVJOGSSA-N 		FAD
1H-Purin-6-amine flavin dinucleotide
1H-Purin-6-amine flavine dinucleotide
Adeflavin
Adenine-flavin dinucleotide
Adenine-flavine dinucleotide
Adenine-riboflavin dinuceotide
Adenine-riboflavin dinucleotide
Adenine-riboflavine dinucleotide
Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine
Adenosine 5'-(trihydrogen pyrophosphoric acid), 5'-5'-ester with riboflavine
Adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate]
Adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphoric acid]
Dinucleotide, flavin-adenine
FLAVIN-adenine dinucleotide
Flamitajin b
Flanin F
Flavin adenine dinucleotide
Flavin adenine dinucleotide oxidized
Flavine adenosine diphosphate
Flavine-adenine dinucleotide
Flavitan
Flaziren
Isoalloxazine-adenine dinucleotide
Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine
Riboflavin 5'-(trihydrogen diphosphoric acid), 5'-5'-ester with adenosine
Riboflavin 5'-adenosine diphosphate
Riboflavin 5'-adenosine diphosphoric acid
Riboflavin-adenine dinucleotide
Riboflavine-adenine dinucleotide
flavine-adenine dinucleotide
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid

CHEBI:16238
chebi:16238
VWWQXMAJTJZDQX-UYBVJOGSSA-N 		FAD
Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine
FLAVIN-ADENINE DINUCLEOTIDE
Flavin adenine dinucleotide
Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine
Riboflavin 5'-adenosine diphosphate
adenosine 5'-(3-{D-ribo-5-[7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl} dihydrogen diphosphate)
adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate]

sabiork.compound:1270
sabiorkM:1270
kegg.compound:C00016
keggC:C00016
VWWQXMAJTJZDQX-UYBVJOGSSA-N 		FAD
Flavin adenine dinucleotide

seed.compound:cpd00015
seedM:cpd00015
VWWQXMAJTJZDQX-UYBVJOGSSA-L 		FAD
Flavin adenine dinucleotide
Flavin adenine dinucleotide oxidized
Flavin_adenine_dinucleotide
Flavinadeninedinucleotideoxidized
fad
flavin adenine dinucleotide
flavin adenine dinucleotide oxidized
flavitan

metacyc.compound:FAD
metacycM:FAD
VWWQXMAJTJZDQX-UYBVJOGSSA-N 		FAD
flavin adenine dinucleotide
flavin adenine dinucleotide oxidized
flavitan

kegg.drug:D00005
keggD:D00005
VWWQXMAJTJZDQX-UYBVJOGSSA-N 		Flavin adenine dinucleotide (JAN)
Adeflavin (TN)

bigg.metabolite:fad
biggM:fad
VWWQXMAJTJZDQX-UYBVJOGSSA-L 		Flavin adenine dinucleotide oxidized

vmhM:fad
vmhmetabolite:fad
VWWQXMAJTJZDQX-UYBVJOGSSA-L 		Flavin adenine dinucleotide oxidized
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}(h

hmdb:HMDB01248
chebi:13315
chebi:21125
chebi:42388
chebi:4956
biggM:M_fad
keggC:M_C00016
keggD:M_D00005
seedM:M_cpd00015
vmhM:M_fad 		secondary/obsolete/fantasy identifier