FMNH(2) (CHEBI:16048)

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CHEBI:16048 - FMNH₂

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ChEBI Name	FMNH₂

ChEBI ID	CHEBI:16048

ChEBI ASCII Name	FMNH2

Definition	The reduced 1,5-dihydro form of flavin mononucleotide.

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

Secondary ChEBI IDs	CHEBI:42517, CHEBI:15017, CHEBI:21128, CHEBI:13318, CHEBI:8782

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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Marvin 09020813553D

54 56 0 0 0 0 999 V2000

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-0.6044 -2.5050 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0

0.4403 -2.8400 -0.6964 N 0 0 0 0 0 0 0 0 0 0 0 0

1.1080 -3.9935 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0

2.0302 -4.2759 -1.2510 O 0 0 0 0 0 0 0 0 0 0 0 0

0.7745 -4.8400 0.4814 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.2438 -4.5502 1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.5410 -5.3212 2.2151 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.9565 -3.3545 1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.0334 -3.0241 2.0042 N 0 0 0 0 0 0 0 0 0 0 0 0

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-5.4833 1.2101 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.3588 -0.0934 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0

4.1679 5.2642 -1.5330 P 0 0 1 0 0 0 0 0 0 0 0 0

3.0493 6.3321 -1.9806 O 0 0 0 0 0 0 0 0 0 0 0 0

4.6613 4.5375 -2.7234 O 0 0 0 0 0 0 0 0 0 0 0 0

5.3942 6.0344 -0.8286 O 0 0 0 0 0 0 0 0 0 0 0 0

2.6397 1.8340 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0

2.7557 6.7831 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0

0.1234 2.2346 -1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0

1.0057 -0.0500 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0

5.7503 6.6500 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0

0.6965 -2.2439 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.1717 -3.5098 2.8328 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.0727 0.5699 -0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.3929 -2.4534 3.0874 H 0 0 0 0 0 0 0 0 0 0 0 0

1.2709 -5.6650 0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0

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0.2371 0.5827 -0.1313 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.4679 1.2714 0.9039 O 0 0 0 0 0 0 0 0 0 0 0 0

0.8914 1.6012 -1.0677 C 0 0 2 0 0 0 0 0 0 0 0 0

1.5968 0.9126 -2.1020 O 0 0 0 0 0 0 0 0 0 0 0 0

1.8710 2.4681 -0.2725 C 0 0 2 0 0 0 0 0 0 0 0 0

1.1667 3.1561 0.7626 O 0 0 0 0 0 0 0 0 0 0 0 0

2.5260 3.4860 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0

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2.2654 0.3656 -1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0

0.4970 3.7037 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0

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1 12 4 0 0 0 0

1 18 4 0 0 0 0

2 3 1 0 0 0 0

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3 4 1 0 0 0 0

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13 31 1 0 0 0 0

14 15 1 0 0 0 0

14 16 4 0 0 0 0

15 42 1 0 0 0 0

15 43 1 0 0 0 0

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16 17 1 0 0 0 0

16 18 4 0 0 0 0

17 45 1 0 0 0 0

17 46 1 0 0 0 0

17 47 1 0 0 0 0

18 30 1 0 0 0 0

19 20 1 0 0 0 0

19 21 2 0 0 0 0

19 22 1 0 0 0 0

20 24 1 0 0 0 0

22 27 1 0 0 0 0

33 34 1 0 0 0 0

33 48 1 0 0 0 0

33 49 1 0 0 0 0

34 26 1 0 0 0 0

34 35 1 0 0 0 0

34 36 1 0 0 0 0

35 50 1 0 0 0 0

36 25 1 0 0 0 0

36 37 1 0 0 0 0

36 38 1 0 0 0 0

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38 23 1 0 0 0 0

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38 40 1 0 0 0 0

39 52 1 0 0 0 0

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40 54 1 0 0 0 0

41 19 1 0 0 0 0

M END): 18 ms

reading 54 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

54 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C17H23N4O9P

Net Charge

Average Mass

458.35984

Monoisotopic Mass

458.12027

InChI

InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1

InChIKey

YTNIXZGTHTVJBW-SCRDCRAPSA-N

SMILES

Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C

Metabolite of Species	Details
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. 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 mononucleotide )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	FMNH₂ (CHEBI:16048) has role Escherichia coli metabolite (CHEBI:76971) FMNH₂ (CHEBI:16048) has role cofactor (CHEBI:23357) FMNH₂ (CHEBI:16048) is a flavin mononucleotide (CHEBI:24041) FMNH₂ (CHEBI:16048) is conjugate acid of FMNH₂(2−) (CHEBI:57618) FMNH₂ (CHEBI:16048) is conjugate acid of FMNH₂(3−) (CHEBI:133886)

Incoming	prenyl-FMNH₂ (CHEBI:87531) has functional parent FMNH₂ (CHEBI:16048) FMNH₂(2−) (CHEBI:57618) is conjugate base of FMNH₂ (CHEBI:16048) FMNH₂(3−) (CHEBI:133886) is conjugate base of FMNH₂ (CHEBI:16048)

IUPAC Name

1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol

Synonyms	Sources
1,5-dihydroriboflavin 5'-(dihydrogen phosphate)	ChemIDplus
flavin mononucleotide (reduced)	ChEBI
FMNH	HMDB
FMNH2	KEGG COMPOUND
Reduced FMN	KEGG COMPOUND

Manual Xrefs	Databases
C01847	KEGG COMPOUND
FMNH2	MetaCyc
HMDB0001142	HMDB
MOL000044	COMe
View more database links

Registry Numbers	Types	Sources
1234695	Reaxys Registry Number	Reaxys
5666-16-0	CAS Registry Number	ChemIDplus

Citation

Roux A, Xu Y, Heilier JF, Olivier MF, Ezan E, Tabet JC, Junot C (2012)
Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-Orbitrap mass spectrometer.
Analytical chemistry 84, 6429-6437 [PubMed:22770225]
[show Abstract]

Last Modified

26 July 2019

CHEBI:16048 - FMNH2

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CHEBI:16048 - FMNH₂