Flavin adenine dinucleotide (FAD)

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Systematic / IUPAC Name: [5-(6-Aminopurin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [[5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] phosphate

ID: Reference423

Other Names: Flavin adenine dinucleotide;
Flavitan;
Flanin F;
Flavinat;
Adenine-flavin dinucleotide ; more

Formula: C27H33N9O15P2

Class: Endogenous Metabolites

Spectral Data

Flavin adenine dinucleotide (FAD) mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 299
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/19/2015 9:30:20 AM
View Mass Spec Data > >

Identificators

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
InChI Key VWWQXMAJTJZDQX-UYBVJOGSSA-N
Canonical SMILES O=C2\C\3=N\c1cc(c(cc1N(C/3=N\C(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
CAS 146145
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Other Names Flavin adenine dinucleotide;
Flavitan;
Flanin F;
Flavinat;
Adenine-flavin dinucleotide;
Adenine-flavine dinucleotide;
Flavine adenosine diphosphate;
Adenine-riboflavin dinucleotide;
Riboflavin-adenine dinucleotide;
Adenine-riboflavine dinucleotide;
Isoalloxazine-adenine dinucleotide;
1H-Purin-6-amine, flavine dinucleotide;
Flamitajin;
Fademin;
1H-Purin-6-amine flavin dinucleotide

In Other Databases

PubChem 643975
KEGG D00005; C00016
Wikipedia Flavin adenine dinucleotide
ChEBI CHEBI:16238
ChemSpider 559059
ChEMBL CHEMBL1232653