Exact Mass: 274.00659099999996

KEIO_ID G066

6-phospho-2-dehydro-D-gluconate

6-Phospho-2-dehydro-D-gluconate; 2-Dehydro-D-gluconate 6-phosphate

A ketoaldonic acid phosphate that is the 6-phospho derivative of 2-dehydro-D-gluconic acid.

L-Iduronate 2-sulfate

4-Ketocyclophosphamide

2-[bis(2-chloroethyl)amino]-1,3,2λ⁵-oxazaphosphinane-2,4-dione

4-Ketocyclophosphamide is a metabolite of cyclophosphamide. Cyclophosphamide (trade names Endoxan, Cytoxan, Neosar, Procytox, Revimmune), also known as cytophosphane, is a nitrogen mustard alkylating agent, from the oxazophorines group. An alkylating agent adds an alkyl group (CnH2n+1) to DNA. It attaches the alkyl group to the guanine base of DNA, at the number 7 nitrogen atom of the imidazole ring. It is used to treat various types of cancer and some autoimmune disorders. (Wikipedia) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards

3-Dehydro-L-gulonate 6-phosphate

4-Ketoifosfamide

3-(2-chloroethyl)-2-[(2-chloroethyl)amino]-1,3,2λ⁵-oxazaphosphinane-2,4-dione

4-Ketoifosfamide is a metabolite of ifosfamide. Ifosfamide (also marketed as Mitoxana and Ifex) is a nitrogen mustard alkylating agent used in the treatment of cancer. It is sometimes abbreviated IFO. (Wikipedia) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards

D-Glucuronic acid 1-phosphate

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxane-2-carboxylic acid

D-Glucuronic acid 1-phosphate is an end product of the UDP-glucuronic acid pathway. Formation of free glucuronic acid from UDP-glucuronic acid can be considered as the first step in the synthesis of vitamin C, a pathway that occurs in most vertebrates, although not in guinea pigs and primates, including humans. Free glucuronic acid can also be converted to pentose phosphate intermediates via the pentose pathway. The latter is interrupted in subjects with pentosuria, who have a deficiency in l-xylulose reductase (EC 1.1.1.10, an enzyme that belongs to the short-chain dehydrogenase/reductase family) and excrete abnormal amounts of l-xylulose. Some xenobiotics stimulate the formation of vitamin C in animals and enhance the excretion of l-xylulose in humans with pentosuria and have shown that aminopyrine, metyrapone and other xenobiotics cause an almost instantaneous increase in the conversion of UDP-glucuronic acid to glucuronic acid. It is usually stated that glucuronic acid formation from UDP-glucuronic acid is the result of two successive reactions comprising the hydrolysis of UDP-glucuronic acid to glucuronic acid 1-phosphate and UMP by nucleotide pyrophosphatase (E-NPP3, EC 3.6.1.9), followed by dephosphorylation of glucuronic acid 1-phosphate. Glucuronidation is responsible for conjugating potentially toxic lipophilic compounds with glucuronic acid, thereby producing molecules with greater aqueous solubility that is excreted more readily into urine and bile. The rate at which any compound may be glucuronidated depends on the concentration and activity of the UDP-glucuronosyltransferases as well as the concentration of the cofactor UDP-glucuronic acid. UDP-glucuronic acid is formed after oxidation of UDP-glucose by UDP-glucose dehydrogenase (UGDH, EC 1.1.1.22) with NAD as the electron acceptor. UDP-glucuronic acid may then be either used as the glucuronic acid donor for xenobiotic conjugation reactions by UDPglucuronosyltransferases (GlcAT-P, EC 2.4.1.17), or degraded to D-glucuronic acid 1-phosphate after the phosphodiester bond is cleaved by E-NPP3. E-NPP3 is the same enzyme that further reduces D-Glucuronic acid 1-phosphate to free D-glucuronic acid. Decreases in UDP-glucuronic acid concentration may be due to reduced availability of UDP-glucose or decreased UGDH activity or to increased activities of GlcAT-P or E-NPP3. Exposure to volatile anesthetics reduces hepatic UDP-glucuronic acid concentrations, and alters the rate of conjugation of compounds such as acetaminophen, bilirubin, diethylstilbestrol, iopanoic acid and valproic acid in a non-sex-dependent fashion in experimental mice. The depletion of UDP-glucuronic acid by anesthetics is caused by altered activity of microsomal E-NPP3. (PMID: 2167093, 16689937, 1276) [HMDB] D-Glucuronic acid 1-phosphate is an end product of the UDP-glucuronic acid pathway. Formation of free glucuronic acid from UDP-glucuronic acid can be considered as the first step in the synthesis of vitamin C, a pathway that occurs in most vertebrates, although not in guinea pigs and primates, including humans. Free glucuronic acid can also be converted to pentose phosphate intermediates via the pentose pathway. The latter is interrupted in subjects with pentosuria, who have a deficiency in l-xylulose reductase (EC 1.1.1.10, an enzyme that belongs to the short-chain dehydrogenase/reductase family) and excrete abnormal amounts of l-xylulose. Some xenobiotics stimulate the formation of vitamin C in animals and enhance the excretion of l-xylulose in humans with pentosuria and have shown that aminopyrine, metyrapone and other xenobiotics cause an almost instantaneous increase in the conversion of UDP-glucuronic acid to glucuronic acid. It is usually stated that glucuronic acid formation from UDP-glucuronic acid is the result of two successive reactions comprising the hydrolysis of UDP-glucuronic acid to glucuronic acid 1-phosphate and UMP by nucleotide pyrophosphatase (E-NPP3, EC 3.6.1.9), followed by dephosphorylation of glucuronic acid 1-phosphate. Glucuronidation is responsible for conjugating potentially toxic lipophilic compounds with glucuronic acid, thereby producing molecules with greater aqueous solubility that is excreted more readily into urine and bile. The rate at which any compound may be glucuronidated depends on the concentration and activity of the UDP-glucuronosyltransferases as well as the concentration of the cofactor UDP-glucuronic acid. UDP-glucuronic acid is formed after oxidation of UDP-glucose by UDP-glucose dehydrogenase (UGDH, EC 1.1.1.22) with NAD as the electron acceptor. UDP-glucuronic acid may then be either used as the glucuronic acid donor for xenobiotic conjugation reactions by UDPglucuronosyltransferases (GlcAT-P, EC 2.4.1.17), or degraded to D-glucuronic acid 1-phosphate after the phosphodiester bond is cleaved by E-NPP3. E-NPP3 is the same enzyme that further reduces D-Glucuronic acid 1-phosphate to free D-glucuronic acid. Decreases in UDP-glucuronic acid concentration may be due to reduced availability of UDP-glucose or decreased UGDH activity or to increased activities of GlcAT-P or E-NPP3. Exposure to volatile anesthetics reduces hepatic UDP-glucuronic acid concentrations, and alters the rate of conjugation of compounds such as acetaminophen, bilirubin, diethylstilbestrol, iopanoic acid and valproic acid in a non-sex-dependent fashion in experimental mice. The depletion of UDP-glucuronic acid by anesthetics is caused by altered activity of microsomal E-NPP3. (PMID: 2167093, 16689937, 1276).

Ferulic acid 4-sulfate

2-Propenoic acid, 3-[3-methoxy-4-(sulfooxy)phenyl]-, (2E)-

Ferulic acid 4-O-sulfate (CAS: 86321-29-1) is a phenolic acid metabolite. It is also a coffee metabolite found in blood or urine. Ferulic acid 4-O-sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

Isoferulic acid 3-sulfate

(2E)-3-[4-Methoxy-3-(sulphooxy)phenyl]prop-2-enoic acid

Isoferulic acid 3-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

cis-Ferulic acid 4-sulfate

3-[3-Methoxy-4-(sulphooxy)phenyl]prop-2-enoic acid

Glucuronic acid sulfate

(3,4,5,6-tetrahydroxyoxane-2-carbonyloxy)sulfonic acid

Iduronate 2-sulfate

2,3,4-Trihydroxy-6-oxo-5-(sulphooxy)hexanoic acid

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-sulfooxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-sulphooxyoxane-2-carboxylic acid

dimethyl 5-sulphoisophthalate

1,3-dimethyl 5-sulfoisophthalate

CONFIDENCE standard compound; INTERNAL_ID 2311

6-bromo-1-ethyl-9H-pyrido[3,4-b]indole

C13H11BrN2 (274.0105546)

RG-14620

α-[(3,5-dichlorophenyl)methylene]-3-pyridineacetonitrile

Ferulic acid 4-sulfate

3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid

A member of the class of cinnamic acids that is ferulic acid in which the phenolic hydrogen has been replaced by a sulfo group.

Isoferulic acid 3-sulfate

(2E)-3-[4-methoxy-3-(sulfooxy)phenyl]prop-2-enoic acid

Benzyl 4-bromophenyl ketone

1-(4-Bromophenyl)-2-phenylethanone

T-BUTYL 3-BROMO-4-FLUOROBENZOATE

4-(4-Bromophenyl)acetophenone

2-(4-bromophenyl)-1-phenylethanone

ethanolate,lanthanum(3+)

C6H15LaO3 (274.008469)

4-BROMO-4-METHYLBENZOPHENONE

tert-Butyl 4-bromo-2-fluorobenzoate

5-iodo-1-pentanol acetate

C7H15IO3 (274.00659099999996)

hexaammineruthenium(ii) chloride

Cl2H18N6Ru (274.0013328)

(3-BROMOPHENYL)(P-TOLYL)METHANONE

4-CHLORO-2-(4-CHLORO-PHENYL)-QUINAZOLINE

4,6-Dichloro-2-phenyl-quinazoline

2-[Bis(Methylsulfonyl)amino]benzonitrile

C9H10N2O4S2 (274.008198)

2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid

C11H12Cl2N2S (274.00982120000003)

4-(CHLOROMETHYL)-N-(4-METHYLPHENYL)-1,3-THIAZOL-2-AMINE HYDROCHLORIDE

4-BROMO-3-METHYLBENZOPHENONE

6,8-DICHLORO-CHROMAN-3-CARBOXYLIC ACID ETHYL ESTER

tert-Butyl 2-bromo-4-fluorobenzoate

(7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)(4-BROMOPHENYL)METHANONE

C13H11BrN2 (274.0105546)

4-(Bromomethyl)benzophenone

9,10-Anthracenedione,2-chloro-1,4-dihydroxy-

C14H7ClO4 (274.0032852)

2-chloro-6-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-3-carbonitrile

C11H12Cl2N2S (274.00982120000003)

2,8-Dinitrodibenzothiophene

C12H6N2O4S (274.0048276)

2-(2-(4-Chlorophenyl)thiazol-4-yl)ethanamine hydrochloride

5-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)FURAN-2-CARBALDEHYDE

C12H6ClF3O2 (274.00084019999997)

5-iodo-2-pyrrolidin-1ylpyridine

C9H11IN2 (273.9966956)

4-Bromo-3-fluoro-benzoic acid tert-butyl ester

3-Benzoylbenzyl bromide

Ethyl 4-(2,4-dichlorophenyl)-3-oxobutanoate

methyl 4-chlorosulfonyl-2,3-dihydro-1H-indene-2-carboxylate

C11H11ClO4S (274.0066556)

Disulfide, dibenzoyl

C14H10O2S2 (274.01222)

3-trifluoromethyl-1-phenyl-1H-5-chloropyrazole-4-carbaldehyde

C11H6ClF3N2O (274.0120732)

4-[3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZOYL CHLORIDE

C11H6ClF3N2O (274.0120732)

1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride

C11H6ClF3N2O (274.0120732)

211576-36-2

C12H6ClF3O2 (274.00084019999997)

5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)FURAN-2-CARBALDEHYDE

2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole

C13H7ClN2O3 (274.0145182)

4 5-diamino-6-hydroxy-2-mercaptopyrimid&

C4H10N4O6S2 (274.00417600000003)

2-BROMO-2-PHENYLACETOPHENONE

4,7-dichloro-2-phenylquinazoline

3-(2-Chloroactyl)-2-[(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide

(E)-3-(3,5-dichlorophenyl)-2-pyridin-3-ylprop-2-enenitrile

D000970 - Antineoplastic Agents > D020032 - Tyrphostins

3-Sulfoglucuronic acid

2-O-Sulfo-Alpha-L-Idopyranuronic Acid

2-O-Sulfo-Beta-L-Altropyranuronic Acid

2-Keto-6-phosphate-D-gluconic acid, alpha-furanose form

3-dehydro-L-gulonic acid 6-phosphate

A ketoaldonic acid derivative that is the 6-(dihydrogen phosphate) derivative of 3-dehydro-L-gulonic acid.

2-O-sulfo-beta-D-glucuronic acid

Hexanediol 1,6-bisphosphate

C6H12O8P2-4 (274.0007412)

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-sulfooxyoxane-2-carboxylic acid

cis-Ferulic acid 4-sulfate

D-Glucuronic acid 1-phosphate

A uronic acid phosphate consisting of D-glucuronic acid having a phosphate group attached at the 1-position.

L-iduronic acid 2-sulfate

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide

C9H5F3N4OS (274.0136156)

4-Ketocyclophosphamide

D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards

α-D-Glucuronic acid-1-phosphate

1-Phospho-alpha-D-glucuronic acid