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FAD

Properties

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Occurences in reactions

MNX_ID

MNXM1365404

	#reac
in my sandbox	0
in MNXref (generic)	816
in models (compartimentalized)	523

formula

C₂₇H₃₃N₉O₁₅P₂

charge

mass

785.555

reference

chebi:57692

InChIKey

VWWQXMAJTJZDQX-UYBVJOGSSA-N

InChI

InChI=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

SMILES

[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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
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	FAD FAD trianion FAD(3-)
hmdb:HMDB0001248	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	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	FAD Flavin adenine dinucleotide
seed.compound:cpd00015 seedM:cpd00015	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	FAD flavin adenine dinucleotide flavin adenine dinucleotide oxidized flavitan
kegg.drug:D00005 keggD:D00005	Flavin adenine dinucleotide (JAN) Adeflavin (TN)
bigg.metabolite:fad biggM:fad	Flavin adenine dinucleotide oxidized
vmhM:fad vmhM:fad vmhmetabolite:fad vmhmetabolite:fad	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	secondary/obsolete/fantasy identifier