Metabolite Reference Standards and Reagents: Compounds Synthesized

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StructureCommon
Name
InChiKey

Isotopic Label
Type
Isotopic Label
Position
MSSC

Status

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10-Formyl-tetrahydrofolic acid AUFGTPPARQZWDO-YUZLPWPTSA-N RTIcompleted
11-keto-1,6,7-trideuterotestosterone WTPMRQZHJLJSBO-FLDABYKKSA-N RTIcompleted
11β-Hydroxyandrostenedione WSCUHXPGYUMQEX-KCZNZURUSA-Nunlabelled parent * RTIcompleted *
11β-Hydroxyandrostenedione-d3  2Hcarbons 1,6,7 RTIcompleted 
[13C2]-monoethyl fumerate XLYMOEINVGRTEX-JUAXEOANSA-N13CThe 1 and 4 position of fumarate SRIcompleted
13CD3-QA Iodide CSRAQSNOQWXULC-HBKQTYJLSA-M13C + 2Hboth on one mehyl group SRIcompleted
15N-Cholamine Bromide VSZWLDAGOXQHNB-NWZHYJCUSA-M15NPlease see Anal Chem. 2013 Sep 17;85(18):8715-21. SRIcompleted
15NQDA CSRAQSNOQWXULC-XOJMRSMASA-M15N2-15Naminooxyethyl SRIcompleted
2-hydroxyglutaric acid HWXBTNAVRSUOJR-UHFFFAOYSA-N13Cuniform enrichment SRIcompleted
2-keto-3-deoxygluconate WPAMZTWLKIDIOP-WVZVXSGGSA-N SRIcompleted
3-Deoxyarabino-hexonic acid YGMNHEPVTNXLLS-VAYJURFESA-NNANA SRIcompleted
6-phosphogluconic acid BIRSGZKFKXLSJQ-SQOUGZDYSA-N13Cuniform enrichment SRIcompleted
6-phosphogluconolactone IJOJIVNDFQSGAB-SQOUGZDYSA-N13Cuniform enrichment SRIcompleted
(6R,S)-5,10-Methenyl-5,6,7,8-tetrahydrofolic acid, chloride NDMWNIVQVBEIJX-ZEDZUCNESA-N RTIcompleted 
(6R,S)-5,10-Methylene-5,6,7,8-tetrahydrofolic acid, calcium salt AKUPTUNGFOADRT-ZEDZUCNESA-Lunlabelled parent * RTIcompleted *
Cholamine Bromide VSZWLDAGOXQHNB-UHFFFAOYSA-Munlabelled parent * SRIcompleted *
Dimethyl α-ketoglutarate TXIXSLPEABAEHP-UHFFFAOYSA-Nunlabelled parent * RTIcompleted *
Dimethyl α-ketoglutarate TXIXSLPEABAEHP-UHFFFAOYSA-N13C1,2,3,4,5-13C5 RTIcompleted
D-Ribose 5-phosphate KTVPXOYAKDPRHY-SOOFDHNKSA-N13Cuniform enrichment SRIcompleted
D-Ribulose 5-phosphate FNZLKVNUWIIPSJ-UHNVWZDZSA-N13Cuniform enrichment SRIcompleted
D-Sedoheptulose-7-phosphate CBIDVWSRUUODHL-QTSLKERKSA-N13Ceither C1+C2 or C3 to C7 SRIcompleted
Fructose-6-phosphate BGWGXPAPYGQALX-ARQDHWQXSA-N13Cuniform enrichment SRIcompleted
glucose-6-phosphate NBSCHQHZLSJFNQ-GASJEMHNSA-N13Cuniform enrichment SRIcompleted
Itaconic acid LVHBHZANLOWSRM-UHFFFAOYSA-N13Cuniform enrichment though any 2 positions also would suffice SRIcompleted
Malioxamycin KXQRAPMNPUXYGT-VDTYLAMSSA-N RTIcompleted
Orotic-4,5,6-carboxy-13C4 Acid Monohydrate PXQPEWDEAKTCGB-UHFFFAOYSA-N13C RTIcompleted
QDA Iodide CSRAQSNOQWXULC-UHFFFAOYSA-Munlabelled parent * SRIcompleted
U13C-(–)-4,5-Dihydroorotic acid UFIVEPVSAGBUSI-UHFFFAOYSA-N13C RTIcompleted
U13C-AICA Ribonucleotide NOTGFIUVDGNKRI-UUOKFMHZSA-N13C RTIcompleted

Number of records: 29

* This non-target unlabelled compound was analyzed by chromatographic and spectral methods as appropriate but was not certified by GLP protocols.
 One of more compounds were approved for synthesis based on this nomination. Click the common name for details.
 This compound was approved for synthesis based on the nomination of a different compound, or a nomination that was not specific.

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