FADH(2) (CHEBI:17877)

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CHEBI:17877 - FADH₂

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ChEBI Name	FADH₂

ChEBI ID	CHEBI:17877

ChEBI ASCII Name	FADH2

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:21126, CHEBI:42427, CHEBI:13316, CHEBI:4957

Supplier Information	ZINC000095099885

Download	Molfile XML SDF

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M END): 35 ms

reading 88 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

88 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Formula

C27H35N9O15P2

Net Charge

Average Mass

787.56598

Monoisotopic Mass

787.17279

InChI

InChI=1S/C27H35N9O15P2/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/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

InChIKey

YPZRHBJKEMOYQH-UYBVJOGSSA-N

SMILES

Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). 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). (via flavin adenine dinucleotide )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	FADH₂ (CHEBI:17877) has role Escherichia coli metabolite (CHEBI:76971) FADH₂ (CHEBI:17877) has role mouse metabolite (CHEBI:75771) FADH₂ (CHEBI:17877) is a flavin adenine dinucleotide (CHEBI:24040) FADH₂ (CHEBI:17877) is conjugate acid of FADH₂(2−) (CHEBI:58307)

Incoming	N⁵-sulfo-FADH₂ (CHEBI:45686) has functional parent FADH₂ (CHEBI:17877) FADH₂(2−) (CHEBI:58307) is conjugate base of FADH₂ (CHEBI:17877)

IUPAC Name

adenosine 5'-(3-{D-ribo-5-[7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl} dihydrogen diphosphate)

Synonyms	Sources
1,5-dihydro-FAD	ChemIDplus
DIHYDROFLAVINE-ADENINE DINUCLEOTIDE	PDBeChem
FADH2	KEGG COMPOUND
flavin adenine dinucleotide (reduced)	ChEBI

Manual Xrefs	Databases
C01352	KEGG COMPOUND
FDA	PDBeChem
View more database links

Registry Numbers	Types	Sources
1208989	Beilstein Registry Number	Beilstein
1910-41-4	CAS Registry Number	ChemIDplus

Last Modified

27 January 2016

CHEBI:17877 - FADH2

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CHEBI:17877 - FADH₂