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CHEBI:57692 - FAD(3−)

ChEBI IDCHEBI:57692
ChEBI NameFAD(3−)
Stars
ASCII NameFAD(3-)
DefinitionTrianion of flavin adenine dinucleotide arising from deprotonation of the diphosphate OH groups and the imide nitrogen.
Last Modified20 July 2021
DownloadsMolfile
FormulaC27H30N9O15P2
Net Charge-3
Average Mass782.533
Monoisotopic Mass782.13531
SMILESCc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C
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,(H5,28,29,30,34,42,43,44,45,46,47)/p-3/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyIMGVNJNCCGXBHD-UYBVJOGSSA-K
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
water-soluble vitamin (role)  Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
Application:
nutraceutical  A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
ChEBI Ontology
Outgoing Relation(s)
FAD(3−) (CHEBI:57692) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
FAD(3−) (CHEBI:57692) has role cofactor (CHEBI:23357)
FAD(3−) (CHEBI:57692) is a organophosphate oxoanion (CHEBI:58945)
FAD(3−) (CHEBI:57692) is a vitamin B2 (CHEBI:176838)
FAD(3−) (CHEBI:57692) is conjugate base of FAD (CHEBI:16238)
Incoming Relation(s)
FAD (CHEBI:16238) is conjugate acid of FAD(3−) (CHEBI:57692)
Synonym  Source
FAD trianionChEBI
UniProt Name  Source
FADUniProt