Metabolomics of Esophageal Squamous Cell Carcinoma Tissues: Potential Biomarkers for Diagnosis and Promising Targets for Therapy

Table 4

Representative differential metabolites between esophageal squamous cell carcinoma tissue and adjacent noncancerous tissue.

Number	Metabolite	Formula	ID	Retention time		VIP	P	Exp	FC
1	Cytochalasin Ppho	C30H41NO6	HMDB0035368	7.30	510.28	2.31	0.00001057	↑	2.087
2	PE (15:0/20:1(11Z))	C40H78NO8P	HMDB0008900	11.91	732.55	2.21	0.0001900	↑	2.125
3	Methyl 9,10-epoxy-12,15-octadecadienoate	C19H32O3	LMFA01070012	7.41	309.24	1.79	0.005736	↑	2.057
4	Oleoyl glycine	C20H37NO3	HMDB0013631	5.09	381.31	1.66	0.00000792	↑	2.099
5	Dextrorphan O-glucuronide	C23H31NO7	HMDB0010341	3.01	398.19	1.50	0.002671	↑	2.473
6	Butyl (S)-3-hydroxybutyrate glucoside	C14H26O8	HMDB0031694	6.27	303.14	2.02	0.00000238	↓	0.393
7	(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol	C22H40O9	HMDB0032798	5.77	473.21	1.58	0.001802	↓	0.466
8	2-Amino-5-phenylpyridine	C12H10N2	HMDB0029747	3.10	212.11	1.70	0.00005654	↓	0.419
9	Cer (t18:0/16:0(2OH))	C34H69NO5	LMSP02030015	10.80	572.52	2.24	0.00009182	↓	0.386
10	Janthitrem G	C39H51NO6	HMDB0030531	6.65	612.37	2.20	0.00007879	↓	0.451
11	PI (20:0/20:4(5Z,8Z,11Z,14Z))	C49H87O13P	HMDB0009869	6.53	469.29	2.40	0.0000000019	↓	0.428
12	Ganglioside GA2	C56H102N2O18	HMDB0004889	6.48	557.35	2.17	0.004054	↓	0.404
13	13-Hydroxy-5-O-methylmelledonal	C24H30O9	HMDB0035864	5.10	507.15	1.53	0.003510	↓	0.453

Note: formula: chemical formula of metabolite; library ID: accession number of metabolites in the corresponding database; HMDB: HMDB database number; LMSP and LMFA: lipid MAP database number; retention time: refers to the retention time of charged ions in the chromatogram; : mass charge ratio, refers to the ratio of the mass of charged ion to the charge charged; VIP: VIP value of this metabolite in OPLS-DA model between the two groups; : the result of significance test of difference of this metabolite between the two groups; Exp: indicates that the expression level of the substance is upregulated in cancer tissues; indicates that the expression level of the substance is downregulated in cancer tissues; FC: the fold change of differential expression of this metabolite between the two groups; as well as CA/NO.