Metabolite page

Showing information for HMDB0000991 ('2-aminooctanoate')

Metabolite information
HMDB ID	HMDB0000991
Synonyms	(+-)-2-Aminooctanoate (+-)-2-Aminooctanoic acid (+/-)-2-amino-octanoate (+/-)-2-amino-octanoic acid (+/-)-2-aminooctanoate (+/-)-2-aminooctanoic acid 2-Aminocaprylate 2-Aminocaprylic acid 2-Aminooctanoate 2-Aminooctanoic acid 2-amino-DL-Caprylate 2-amino-DL-Caprylic acid 2-amino-DL-Octanoate 2-amino-DL-Octanoic acid D,L-2-Aminooctanoate D,L-2-Aminooctanoic acid DL-2-Aminocaprylate DL-2-Aminocaprylic acid DL-2-Aminooctanoate DL-a-Aminocaprylate DL-a-Aminocaprylic acid DL-a-amino-N-Caprylate DL-a-amino-N-Caprylic acid DL-alpha-Aminocaprylate DL-alpha-Aminocaprylic acid DL-alpha-amino-N-Caprylate DL-alpha-amino-N-Caprylic acid DL-α-amino-N-caprylate DL-α-amino-N-caprylic acid DL-α-aminocaprylate DL-α-aminocaprylic acid NSC 20147 a-Aminocaprylate a-Aminocaprylic acid a-Aminooctanoate a-Aminooctanoic acid alpha-Aminocaprylate alpha-Aminocaprylic acid alpha-Aminooctanoate alpha-Aminooctanoic acid α-aminocaprylate α-aminocaprylic acid α-aminooctanoate α-aminooctanoic acid
Chemical formula	C8H17NO2
IUPAC name	2-aminooctanoic acid
CAS registry number	644-90-6
Monoisotopic molecular weight	159.125928793
Chemical taxonomy
Super class	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Sub class	Amino acids, peptides, and analogues
Biological properties
Pathways (Pathway Details in HMDB)

The paper(s) that report HMDB0000991 as a lung cancer biomarker

The studies that identify HMDB0000991 as a lung cancer-related metabolite

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	US	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	–
Moreno et al. 2018	Spain	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	–

Reference	Chromatography	Ion source	Positive/Negative mode	Mass analyzer	Identification level
Mazzone et al. 2016	LC	ESI	positive	linear ion-trap	MS/MS
Moreno et al. 2018	LC, GC	ESI, EI	both	LC: linear ion-trap, GC: single-quadrupole	LC: MS/MS

Reference	Data processing software	Database search
Mazzone et al. 2016	Metabolon LIMS system	Metabolon LIMS system
Moreno et al. 2018	–	KEGG, HMDB

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	1.172518± 0.7960609	1.202206± 0.7188863	0.98	0.75	0.73	–
Moreno et al. 2018	paired two-sample t-test, PLS-DA	–	–	1.61	1.01e-03	1.62e-03	–

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