Authentic human data for phenylacetic acid (C6–C2) metabolites in urine, plasma, ileal fluid and feces

This document is a compilation of published quantitative data obtained with authentic calibrants for the concentrations of C6–C2 metabolites (i.e. phenylacetic acids and the associated phase-2 conjugates) in human urine, plasma, ileal fluid and feces. The originating publications were identified by searching Web of Science, PubMed and Google Scholar up to May 2024. Data originally reported on a mass/day or mass/volume basis have been converted to a molar basis to facilitate comparisons, but some published data were excluded from these tables: (i) Data originally reported relative to creatinine, the standard clinical practice with spot plasma and urine samples, cannot be accurately converted to a molar basis because creatinine production varies with sex, age and protein intake. (ii) Data produced by acid or enzymic hydrolysis of phase-2 conjugates have not been tabulated except for glycine or glutamine conjugates when β-glucuronidase and sulfatase hydrolysis has been used. Similar compilations have been prepared for C6–C1 metabolites (benzoic acids), C6–C3 metabolites (3-phenylpropanoic acids and cinnamic acids) and C6–C5 metabolites (5-phenylvaleric acids, 4-hydroxy-5-hydroxyphenylvaleric acids and phenylvalerolactones) and the metabolites have been identified using the nomenclature recommended by Kay et al. (Kay et al. 2020) and are numbered consecutively in a single series through the five documents.

本数据集汇编了采用真实校准品测得的公开定量数据，涵盖人类尿液、血浆、回肠液及粪便中C6–C2代谢物（即苯乙酸类及其相关Ⅱ相结合物）的浓度。本数据集的源文献通过检索截至2024年5月的Web of Science、PubMed及Google Scholar数据库筛选得到。原文献中以质量/日或质量/体积为单位报告的数据已转换为摩尔单位以方便跨样本比较，但部分已发表数据未纳入本数据集表格：（1）原文献中以肌酐为参照单位的数据未被纳入：临床中针对即时采集的血浆与尿液样本常采用肌酐归一化，但由于肌酐生成量会随性别、年龄及蛋白质摄入量发生变化，此类数据无法准确转换为摩尔单位；（2）除采用β-葡萄糖醛酸苷酶及硫酸酯酶水解得到的甘氨酸或谷氨酰胺结合物数据外，通过酸解或酶解Ⅱ相结合物获得的检测数据均未纳入表格。针对C6–C1代谢物（苯甲酸类）、C6–C3代谢物（3-苯基丙酸类及肉桂酸类）与C6–C5代谢物（5-苯基戊酸类、4-羟基-5-羟苯基戊酸类及苯基戊酸内酯类），本团队也完成了类似的数据集汇编；所有代谢物均采用Kay等人（Kay et al., 2020）推荐的命名法进行鉴定，并在这五份文档中按统一序列连续编号。