MiMeDB: Showing metabocard for beta-nicotinamide D-ribonucleotide (MMDBc0054367)

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-05 23:09:14 UTC

Update Date

2024-10-11 04:24:18 UTC

Metabolite ID

MMDBc0054367

Metabolite Identification

Common Name

beta-nicotinamide D-ribonucleotide

Description

Based on a literature review very few articles have been published on (2R,3R)-N-[(5S)-5-({[(2R)-2-amino-3-selanylpropanoyl]asparagyllysylasparagyl}amino)-6-asparagyltryptophyl-6-oxohexyl]-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₁H₁₅N₂O₈P

Average Mass

334.2192

Monoisotopic Mass

334.056601978

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1

InChI Key

DAYLJWODMCOQEW-TURQNECASA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (retained)	2025-10-24	534.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	382.3
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	55.6
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	277.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	257.1
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	222.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	568.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	808.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	372.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	146.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	367.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	167.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	57.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	411.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	631.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	51.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	212.2
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	612.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	583.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O	standard non polar	2025-10-24	2022.0
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C1	standard non polar	2025-10-24	2271.09
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_3	C[Si](C)(C)OP(=O)([O-])OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2501.04
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_4	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)=C1	standard non polar	2025-10-24	1797.44
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1932.19
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O	standard non polar	2025-10-24	1879.47
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_7	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1	standard non polar	2025-10-24	1976.64
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_8	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@H]1[N+]1=CC=CC(C(N)=O)=C1	standard non polar	2025-10-24	2338.95
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_9	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1538.9
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_10	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C1	standard non polar	2025-10-24	1886.83
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_11	C[Si](C)(C)N(C(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)=C1)[Si](C)(C)C	standard non polar	2025-10-24	1865.29
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2350.98
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_13	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	2100.19
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_14	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1	standard non polar	2025-10-24	1687.67
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([N+]2=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@@H]1O	standard non polar	2025-10-24	2462.33
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_16	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1815.86
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])O)O[C@H]1[N+]1=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1	standard non polar	2025-10-24	2053.58
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_18	C[Si](C)(C)OP(=O)([O-])OC[C@H]1O[C@@H]([N+]2=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1195.65
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_19	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1459.77
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([N+]2=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1987.41
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_21	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@@H]1O	standard non polar	2025-10-24	2429.27
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_22	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@H]1[N+]1=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1	standard non polar	2025-10-24	2126.49
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	891.411
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O	standard polar	2025-10-24	1770.44
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])O)O[C@H]1[N+]1=CC=CC(C(N)=O)=C1	standard polar	2025-10-24	2383.04
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_3	C[Si](C)(C)OP(=O)([O-])OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2034.66
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_4	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)=C1	standard polar	2025-10-24	2082.58
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2130.99
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O	standard polar	2025-10-24	2423.39
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_7	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1	standard polar	2025-10-24	1922.77
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_8	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@H]1[N+]1=CC=CC(C(N)=O)=C1	standard polar	2025-10-24	1436.67
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_9	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	2969.5
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_10	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C1	standard polar	2025-10-24	2670.82
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_11	C[Si](C)(C)N(C(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)=C1)[Si](C)(C)C	standard polar	2025-10-24	1380.73
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2016.71
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_13	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	2304.23
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_14	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1	standard polar	2025-10-24	1550.39
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([N+]2=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@@H]1O	standard polar	2025-10-24	1333.05
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_16	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	1881.07
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])O)O[C@H]1[N+]1=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1	standard polar	2025-10-24	1807.61
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_18	C[Si](C)(C)OP(=O)([O-])OC[C@H]1O[C@@H]([N+]2=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2430.34
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_19	C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	956.819
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O)O[C@@H]([N+]2=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1609.05
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_21	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@@H]1O	standard polar	2025-10-24	2111.2
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_22	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@H]1[N+]1=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1	standard polar	2025-10-24	1541.64
Gas Chromatography	beta-nicotinamide D-ribonucleotide_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2891.49

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
NAD Salvage		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli SE11 Pseudomonas aeruginosa PA7 Escherichia coli CFT073 Klebsiella pneumoniae Bacillus cereus Bacillus amyloliquefaciens Bacillus cereus AH187 (F4810/72) Bacteroides caccae Bacteroides fragilis Bacteroides fragilis 638R Bacteroides fragilis YCH46 Bacteroides thetaiotaomicron Bacteroides thetaiotaomicron VPI-5482 Bacteroides xylanisolvens XB1A Brevibacillus brevis NBRC 100599 Dysgonomonas gadei ATCC BAA-286 Porphyromonas gingivalis ATCC 33277 Pelobacter carbinolicus Burkholderia cepacia Xanthomonas campestris Bradyrhizobium japonicum Citrobacter koseri Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Vibrio vulnificus Bacteroides uniformis Bacillus licheniformis Priestia megaterium Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Corynebacterium glutamicum Enterobacter cancerogenus Bacillus clausii Burkholderia cenocepacia Citrobacter youngae Escherichia albertii Bacteroides nordii Bacteroides plebeius Phocaeicola coprocola Bacteroides pyogenes Bacteroides salanitronis Bacteroides fluxus Bacteroides faecis Bacteroides helcogenes Bacteroides xylanisolvens Dysgonomonas gadei Klebsiella variicola Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Priestia megaterium DSM 319 Citrobacter koseri ATCC BAA-895 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Escherichia coli 042 Porphyromonas gingivalis W83 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Shigella sonnei Ss046 Shigella flexneri 5 str. 8401 Staphylococcus haemolyticus JCSC1435 Vibrio parahaemolyticus RIMD 2210633 Bacteroides fluxus YIT 12057 Bacteroides nordii CL02T12C05 Bacteroides ovatus ATCC 8483 Bacteroides pyogenes DSM 20611 = JCM 6294 Bacteroides uniformis ATCC 8492 Bacteroides xylanisolvens SD CC 1b Bacteroides sp. 1_1_14 Bacteroides sp. 1_1_30 Bacteroides sp. 2_1_22 Bacteroides sp. 2_2_4 Bacteroides sp. D2 Bacteroides sp. D20 Bacteroides sp. D22 Paraprevotella xylaniphila YIT 11841 Prevotella bivia DSM 20514 Prevotella oralis ATCC 33269 Prevotella salivae DSM 15606 Prevotella timonensis CRIS 5C-B1 Tannerella forsythia Bacteroides coprophilus DSM 18228 = JCM 13818 Azorhizobium caulinodans Burkholderia cepacia GG4 Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Escherichia albertii TW07627 Klebsiella aerogenes Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Vibrio parahaemolyticus Corynebacterium tuberculostearicum Corynebacterium tuberculostearicum SK141 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. B100 Corynebacterium glutamicum ATCC 13032 Bacillus cytotoxicus NVH 391-98 Alkaliphilus oremlandii OhILAs Corynebacterium glutamicum R Deinococcus geothermalis DSM 11300 Geobacillus thermodenitrificans NG80-2 Mycobacterium abscessus ATCC 19977 Oceanobacillus iheyensis HTE831 Dictyoglomus turgidum DSM 6724 Thermobaculum terrenum ATCC BAA-798 Sanguibacter keddieii DSM 10542 Penicillium brasilianum Fusarium mangiferae Fusarium oxysporum f. sp. lycopersici 4287 Bacteroides helcogenes P 36-108 Bacteroides salanitronis DSM 18170 Klebsiella aerogenes KCTC 2190 Agrobacterium vitis S4 Anaeromyxobacter dehalogenans 2CP-C Anaeromyxobacter dehalogenans 2CP-1 Azorhizobium caulinodans ORS 571 Brucella melitensis bv. 1 str. 16M Brucella abortus bv. 1 str. 9-941 Brucella ovis ATCC 25840 Brucella canis ATCC 23365 Brucella suis ATCC 23445 Brucella abortus S19 Brucella melitensis ATCC 23457 Brucella microti CCM 4915 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia cenocepacia J2315 Capnocytophaga canimorsus Cc5 Citrobacter rodentium ICC168 Cupriavidus necator N-1 Desulfitobacterium hafniense Y51 Desulfitobacterium hafniense DCB-2 Dickeya dadantii Ech703 Dickeya dadantii Ech586 Dickeya dadantii 3937 Enterobacter sp. 638 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Geobacter uraniireducens Rf4 Geobacter sp. FRC-32 Klebsiella pneumoniae 342 Meiothermus silvanus DSM 9946 Nostoc sp. PCC 7120 Dictyoglomus thermophilum H-6-12 Calditerrivibrio nitroreducens DSM 19672 Thermus scotoductus SA-01 Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Pelobacter carbinolicus DSM 2380 Psychromonas ingrahamii 37 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopseudomonas palustris HaA2 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Taylorella equigenitalis MCE9 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Sphingobacterium paucimobilis HER1398 Klebsiella michiganensis KCTC 1686 Veillonella seminalis ACS-216-V-Col6b

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites
Eukaryota/Fungi	Ascomycota	3
Bacteria/Eubacteria	Proteobacteria	94	Cattle ; Human ; Human feces; Chicken ; Human sputum; Human subgingival plaque; Human feces; pleural fluid plaque; bal
Bacteria/Eubacteria	Deinococcus-thermus	1
Bacteria	Proteobacteria	3	Cattle ; Human ; Human feces; Chicken ; Human sputum; Human subgingival plaque; Human feces; pleural fluid plaque; bal
Bacteria/Eubacteria	Actinobacteria	6	Cattle ; Human
Archaea/Archaea	Crenarchaeota	8
Archaea/Archaea	Euryarchaeota	31
Archaea/Archaea	nah	1
Archaea	Crenarchaeota	1
Bacteria	nah	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Urine	Detected and Quantified	366.7		133.3	600	umol/mmol creatinine	Adult (>18 years old)	Both	Sodium Nitrate Consumption	HMDB	7618150
Human Blood	Detected but not Quantified									HMDB

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for beta-nicotinamide D-ribonucleotide (MMDBc0054367)

MOL for #<Metabolite:0x00007f9acfedf4b0>

3D MOL for #<Metabolite:0x00007f9acfedf4b0>

3D SDF for #<Metabolite:0x00007f9acfedf4b0>

3D-SDF for #<Metabolite:0x00007f9acfedf4b0>

PDB for #<Metabolite:0x00007f9acfedf4b0>

3D PDB for #<Metabolite:0x00007f9acfedf4b0>

SMILES for #<Metabolite:0x00007f9acfedf4b0>

INCHI for #<Metabolite:0x00007f9acfedf4b0>

Structure for #<Metabolite:0x00007f9acfedf4b0>

3D Structure for #<Metabolite:0x00007f9acfedf4b0>