Authentic human data for benzoic acid (C6–C1) 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–C3 metabolites (i.e. 3-phenylpropanoic 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–C2 metabolites (phenylacetic 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.

本文件汇编了使用真实校准物测定的人体尿液、血浆、回肠液和粪便中C6–C3代谢物（即3-苯基丙酸及其相关II相共轭物（phase-2 conjugates））浓度的已发表定量数据。通过检索Web of Science、PubMed和Google Scholar数据库（截至2024年5月）确定了原始文献。

原本以质量/天或质量/体积为单位报告的数据已转换为摩尔单位以便于比较，但部分已发表数据未被纳入这些表格：

(i) 原本以肌酐为参照报告的数据（这是临床检测随机血浆和尿液样本的标准做法）无法准确转换为摩尔单位，因为肌酐的生成量随性别、年龄和蛋白质摄入量而变化。
(ii) 通过酸水解或酶水解II相共轭物获得的数据未被列入表格，但使用β-葡萄糖醛酸酶和硫酸酯酶水解得到的甘氨酸或谷氨酰胺共轭物数据除外。

针对C6–C2代谢物（苯乙酸）、C6–C3代谢物（3-苯基丙酸和肉桂酸）以及C6–C5代谢物（5-苯基戊酸、4-羟基-5-羟基苯基戊酸和苯基戊内酯）也编制了类似的汇编；代谢物的鉴定采用了Kay等人推荐的命名法（Kay et al. 2020），并在五份文件中按单一序列连续编号。