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CHEBI:40260 - 6-hydroxy-FAD

ChEBI IDCHEBI:40260
ChEBI Name6-hydroxy-FAD
Stars
DefinitionFlavin-adenine dinucleotide (FAD) in which the hydrogen at position 6 of the benzo[g]pteridinedione moiety is substituted by a hydroxy group.
Last Modified26 July 2019
DownloadsMolfile
FormulaC27H33N9O16P2
Net Charge0
Average Mass801.556
Monoisotopic Mass801.15205
SMILESCc1cc2c(nc3c(=O)nc(=O)nc-3n2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(O)c1C
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/h3,7-8,12-14,19-21,26,37-42H,4-6H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t12-,13+,14+,19-,20+,21+,26+/m0/s1
InChIKeyBJSUUWFQAMLNKU-OKXKTURISA-N
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).
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).
ChEBI Ontology
Outgoing Relation(s)
6-hydroxy-FAD (CHEBI:40260) has role cofactor (CHEBI:23357)
6-hydroxy-FAD (CHEBI:40260) is a flavin adenine dinucleotide (CHEBI:24040)
6-hydroxy-FAD (CHEBI:40260) is conjugate acid of 6-hydroxy-FAD(3−) (CHEBI:60470)
Incoming Relation(s)
6-hydroxy-FAD(3−) (CHEBI:60470) is conjugate base of 6-hydroxy-FAD (CHEBI:40260)
IUPAC Name 
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)
Synonyms  Source
6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDEPDBeChem
6-hydroxyflavin-adenine dinucleotideChEBI
6-hydroxy-fadChemIDplus
6-OH-FadChemIDplus
6-HO-FADChEBI
6-hydroxyflavine-adenine dinucleotideChEBI
Registry NumbersSources
CAS:52301-43-6ChemIDplus