Metabolite page

Showing information for HMDB0001406 ('niacinamide', 'nicotinamide')

Metabolite information
HMDB ID	HMDB0001406
Synonyms	3 Pyridinecarboxamide 3-Carbamoylpyridine 3-Pyridinecarboxamide 3-Pyridinecarboxylic acid amide Acid amide Amid kyseliny nikotinove Amide PP Aminicotin Amixicotyn Amnicotin Anti-oxidant Astra brand OF niacinamide Austrovit PP Beautification product Benicot Chronic renal disease Ckd Cucurbits Cutaneous [related but nor necessarily exact synonym] Delonin amide Digestion Dipegyl Dipigyl Endobion Enduramide Extracellular region Factor PP Faecal Faeces Fauna Fecal Flora Gourds Gramineae Hansamid Inovitan PP Jenapharm brand OF niacinamide Jenapharm, nicotinsäureamid Legume Mediatric Merck brand OF niacinamide NAM Nandervit-N Nephropathy Neuron Niacevit Niacin Niacinamide astra brand Niacinamide jenapharm brand Niacinamide merck brand Niacinamide pharmagenix brand Niamide Niavit PP Nicamide Nicamina Nicamindon Nicasir Nicobion Nicofort Nicogen Nicomidol Nicosan 2 Nicosylamide Nicota Nicotamide Nicotilamide Nicotililamido Nicotinamid Nicotinamida Nicotinamide Nicotinamidum Nicotinate amide Nicotine acid amide Nicotine amide Nicotinic acid amide Nicotinic amide Nicotinsaeureamid Nicotinsaureamid Nicotinsäureamid jenapharm Nicotol Nicotylamide Nicotylamidum Nicovel Nicovit Nicovitina Nicovitol Nicozymin Nictoamide Nikotinamid Nikotinsaeureamid Niocinamide Niozymin PP-Faktor Papilionoideae Papulex Pcp Pelmin Pelmine Pelonin amide Personal hygiene Pharmagenix brand OF niacinamide Propamine a Prostate gland Pyridine-3-carboxylic acid amide Renal disease Savacotyl Skin contact Soy Soya Soya bean Soybean Stool Toiletries Toiletry Topical Transdermal Vi-nicotyl Vi-noctyl Vitamin PP Vitamin b 3 Vitamin b3 Witamina PP b 3, Vitamin b-Pyridinecarboxamide b3, Vitamin beta-Pyridinecarboxamide m-[Aminocarbonyl]pyridine niko-Tamin β-pyridinecarboxamide
Chemical formula	C6H6N2O
IUPAC name	pyridine-3-carboxamide
CAS registry number	98-92-0
Monisotopic molecular weight	122.048012824
Chemical taxonomy
Super class	Organoheterocyclic compounds
Class	Pyridines and derivatives
Sub class	Pyridinecarboxylic acids and derivatives
Biological properties
Pahtways	Nicotinate and Nicotinamide Metabolism
Author-emphasized biomarker in the paper(s)

Lung cancer metabolomics studies that identify HMDB0001406 ('niacinamide', 'nicotinamide')

Reference	Country	Specimen	Marker function	Participants (Case)						Participants (Control)
Reference	Country	Specimen	Marker function	Cancer type	Stage	Number	Gender (M,F)	Age mean (range) (M/F)	Smoking status	Type	Number	Gender (M,F)	Age mean (range) (M/F)	Smoking status
Mazzone et al. 2016	–	serum	–	adenocarcinoma, squamous cell carcinoma	I, II, III	94	55.3%, 44.7%	68.7	–	at-risk controls	190	50.5%, 49.5%	66.2	–
Yue et al. 2018	–	plasma	diagnosis	SCLC	–	20	–	–	–	healthy	20	–	–	–
Moreno et al. 2018	–	tissue	therapy, diagnosis	adenocarcinoma	I, II, III	33	24, 9	62.11 ± 9.73	–	tumor vs. adjacent normal tissue	33	24, 9	62.11 ± 9.73	–
Moreno et al. 2018	–	tissue	therapy, diagnosis	squamous cell carcinoma	I, II, III	35	35, 0	68.71 ± 7.46	–	tumor vs. adjacent normal tissue	35	35, 0	68.71 ± 7.46	–
Wikoff et al. 2015b	–	tissue	diagnosis	adenocarcinoma	I	39	15, 24	72.33 ± 8.78	smoker, non-smoker	tumor vs. adjacent normal tissue	39	15, 24	72.33 ± 8.78	smoker, non-smoker

Reference	Chromatography	Ion source	Positive/Negative mode	Mass analyzer	Identification level
Mazzone et al. 2016	LC	ESI	positive	linear ion-trap	MS/MS
Yue et al. 2018	LC	ESI	positive, negative	QTRAP	MS/MS
Moreno et al. 2018	LC, GC	ESI, EI	positive, negative	LC: linear ion‐trap, GC: single‐quadrupole	LC: MS/MS
Moreno et al. 2018	LC, GC	ESI, EI	positive, negative	LC: linear ion‐trap, GC: single‐quadrupole	LC: MS/MS
Wikoff et al. 2015b	GC	EI	–	TOF	–

Reference	Data processing software	Database search
Mazzone et al. 2016	Metabolon LIMS system	Metabolon LIMS system
Yue et al. 2018	Analyst, MultiQuant	–
Moreno et al. 2018	–	KEGG, HMDB
Moreno et al. 2018	–	KEGG, HMDB
Wikoff et al. 2015b	BinBase	NIST11, BinBase

Differential analysis
Classification analysis

Reference	Difference method	Mean concentration (case)	Mean concentration (control)	Fold change (case/control)	P-value	FDR	VIP
Mazzone et al. 2016	two- sample independent t test	1.36923± 1.6683087	1.078041± 0.9989875	1.27010939287096	0.067506	0.136949616	–
Yue et al. 2018	OPLS-DA, student’s t-test	26303.50±4458.58 ng/mL	22834.50±2545.10 ng/mL	0.376311686852767	0.008	–	1.03
Moreno et al. 2018	paired two‐sample t‐test, PLS-DA	–	–	1.40182389301527	0.00000913524964627134	0.0000450603887046418	–
Moreno et al. 2018	paired two‐sample t‐test, PLS-DA	–	–	1.47163518337605	0.000000569599432571955	0.00000153043887943576	–
Wikoff et al. 2015b	OPLS-DA	–	–	1.4	–	0.006	–

Reference	Classification method	Cutoff value	AUROC 95%CI	Sensitivity (%)	Specificity (%)	Accuracy (%)
Mazzone et al. 2016	–	–	–	–	–	–
Yue et al. 2018	–	–	–	–	–	–
Moreno et al. 2018	–	–	–	–	–	–
Moreno et al. 2018	–	–	–	–	–	–
Wikoff et al. 2015b	–	–	–	–	–	–