Exact Mass: 458.2053

Exact Mass Matches: 458.2053

Found 166 metabolites which its exact mass value is equals to given mass value 458.2053, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2-Hydroxy-desipramine glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[3-(methylamino)propyl]-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-6-yl}oxy)oxane-2-carboxylic acid

C24H30N2O7 (458.2053)

2-Hydroxy-desipramine glucuronide is a metabolite of desipramine. Desipramine (also known as desmethylimipramine) is a tricyclic antidepressant (TCA). It inhibits the reuptake of norepinephrine and to a lesser extent serotonin. It is used to treat depression, but not considered a first line treatment since the introduction of SSRI antidepressants. Desipramine is an active metabolite of imipramine. It is sold under the brand names Norpramin and Pertofane. Along with other tricyclics, desipramine has found use in treating neuropathic pain. (Wikipedia)

2-Hydroxy-3-[(2-carboxyethyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid

3-[(2-Carboxyethyl)sulphanyl]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid

C26H34O5S (458.2127)

D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists

Advantame

3-{[3-(3-hydroxy-4-methoxyphenyl)propyl]amino}-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]propanoic acid

C24H30N2O7 (458.2053)

Avitriptan

3-(3-(4--(5-Methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-N-methyl-1H-indole-5-methanesulfonamide fumarate

C22H30N6O3S (458.21)

C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist

Lexipafant

ethyl 4-methyl-2-[N-methyl4-({2-methyl-1H-imidazo[4,5-c]pyridin-1-yl}methyl)benzenesulfonamido]pentanoate

C23H30N4O4S (458.1988)

2-methyl-5-(1-methylethyl)-phenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|carvacrol 2-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside

C22H34O10 (458.2152)

wittifuran Q

C29H30O5 (458.2093)

stemoxazolidinone A

C24H30N2O7 (458.2053)

5-Hydroxy-8-(4-methyl-3-pentenyl)-8-methyl-6-(2-methyl-1-oxopropyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one

C29H30O5 (458.2093)

(1alpha,4beta,8beta)-6-Chloro-1,4,8,15-tetrahydroxy-6-hirsuten-5-one|chloriolin B

C23H35ClO7 (458.2071)

C22H34O10

C22H34O10 (458.2152)

4,6-decadiyne-1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside

C22H34O10 (458.2152)

11-hydroxykopsilongine|N-carbomethoxy-11-hydroxy-12-methoxy-kopsininaline

C24H30N2O7 (458.2053)

Benastatin D

C29H30O5 (458.2093)

9-acetoxy-gamma-geraniol-(2,6-diacetyl-beta-D-glucopyranoside)

C22H34O10 (458.2152)

Asp Asp Ile Pro

(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Asp Asp Leu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Asp Asp Pro Ile

(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid

C19H30N4O9 (458.2013)

Asp Asp Pro Leu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

C19H30N4O9 (458.2013)

Asp Glu Pro Val

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-5-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C19H30N4O9 (458.2013)

Asp Glu Val Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Asp Ile Asp Pro

(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylpentanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Asp Ile Pro Asp

(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C19H30N4O9 (458.2013)

Asp Leu Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Asp Leu Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C19H30N4O9 (458.2013)

Asp Pro Asp Ile

(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]-3-methylpentanoic acid

C19H30N4O9 (458.2013)

Asp Pro Asp Leu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]-4-methylpentanoic acid

C19H30N4O9 (458.2013)

Asp Pro Glu Val

(4S)-4-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid

C19H30N4O9 (458.2013)

Asp Pro Ile Asp

(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]butanedioic acid

C19H30N4O9 (458.2013)

Asp Pro Leu Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]butanedioic acid

C19H30N4O9 (458.2013)

Asp Pro Val Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]pentanedioic acid

C19H30N4O9 (458.2013)

Asp Val Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylbutanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Asp Val Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C19H30N4O9 (458.2013)

Glu Asp Pro Val

(4S)-4-amino-4-{[(2S)-3-carboxy-1-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}butanoic acid

C19H30N4O9 (458.2013)

Glu Asp Val Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Glu Pro Asp Val

(4S)-4-amino-5-[(2S)-2-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C19H30N4O9 (458.2013)

Glu Pro Val Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]butanedioic acid

C19H30N4O9 (458.2013)

Glu Val Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Glu Val Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C19H30N4O9 (458.2013)

His Thr Thr Thr

(2S,3R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid

C18H30N6O8 (458.2125)

Ile Asp Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-carboxypropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Ile Asp Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C19H30N4O9 (458.2013)

Ile Pro Asp Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]butanedioic acid

C19H30N4O9 (458.2013)

Leu Asp Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-carboxypropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Leu Asp Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C19H30N4O9 (458.2013)

Leu Pro Asp Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]butanedioic acid

C19H30N4O9 (458.2013)

Asn Pro Gln Thr

(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-hydroxybutanoic acid

C18H30N6O8 (458.2125)

Asn Pro Thr Gln

(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]-4-carbamoylbutanoic acid

C18H30N6O8 (458.2125)

Asn Gln Pro Thr

(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanoic acid

C18H30N6O8 (458.2125)

Asn Gln Thr Pro

(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

C18H30N6O8 (458.2125)

Asn Thr Pro Gln

(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

C18H30N6O8 (458.2125)

Asn Thr Gln Pro

(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

C18H30N6O8 (458.2125)

Pro Asp Asp Ile

(2S,3S)-2-[(2S)-3-carboxy-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-methylpentanoic acid

C19H30N4O9 (458.2013)

Pro Asp Asp Leu

(2S)-2-[(2S)-3-carboxy-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-4-methylpentanoic acid

C19H30N4O9 (458.2013)

Pro Asp Glu Val

(4S)-4-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid

C19H30N4O9 (458.2013)

Pro Asp Ile Asp

(2S)-2-[(2S,3S)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-methylpentanamido]butanedioic acid

C19H30N4O9 (458.2013)

Pro Asp Leu Asp

(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-methylpentanamido]butanedioic acid

C19H30N4O9 (458.2013)

Pro Asp Val Glu

(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-methylbutanamido]pentanedioic acid

C19H30N4O9 (458.2013)

Pro Glu Asp Val

(4S)-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C19H30N4O9 (458.2013)

Pro Glu Val Asp

(2S)-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-methylbutanamido]butanedioic acid

C19H30N4O9 (458.2013)

Pro Ile Asp Asp

(2S)-2-[(2S)-3-carboxy-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]propanamido]butanedioic acid

C19H30N4O9 (458.2013)

Pro Leu Asp Asp

(2S)-2-[(2S)-3-carboxy-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]propanamido]butanedioic acid

C19H30N4O9 (458.2013)

Pro Asn Gln Thr

(2S,3R)-2-[(2S)-4-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]-3-hydroxybutanoic acid

C18H30N6O8 (458.2125)

Pro Asn Thr Gln

(2S)-4-carbamoyl-2-[(2S,3R)-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-hydroxybutanamido]butanoic acid

C18H30N6O8 (458.2125)

Pro Gln Asn Thr

(2S,3R)-2-[(2S)-3-carbamoyl-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]-3-hydroxybutanoic acid

C18H30N6O8 (458.2125)

Pro Gln Gln Ser

(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanamido]-3-hydroxypropanoic acid

C18H30N6O8 (458.2125)

Pro Gln Ser Gln

(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-hydroxypropanamido]butanoic acid

C18H30N6O8 (458.2125)

Pro Gln Thr Asn

(2S)-3-carbamoyl-2-[(2S,3R)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-hydroxybutanamido]propanoic acid

C18H30N6O8 (458.2125)

Pro Ser Gln Gln

(2S)-4-carbamoyl-2-[(2S)-4-carbamoyl-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]butanoic acid

C18H30N6O8 (458.2125)

Pro Thr Asn Gln

(2S)-4-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]butanoic acid

C18H30N6O8 (458.2125)

Pro Thr Gln Asn

(2S)-3-carbamoyl-2-[(2S)-4-carbamoyl-2-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanamido]propanoic acid

C18H30N6O8 (458.2125)

Pro Val Asp Glu

(2S)-2-[(2S)-3-carboxy-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]pentanedioic acid

C19H30N4O9 (458.2013)

Pro Val Glu Asp

(2S)-2-[(2S)-4-carboxy-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanamido]butanedioic acid

C19H30N4O9 (458.2013)

Gln Asn Pro Thr

(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanoic acid

C18H30N6O8 (458.2125)

Gln Asn Thr Pro

(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

C18H30N6O8 (458.2125)

Gln Pro Asn Thr

(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-3-hydroxybutanoic acid

C18H30N6O8 (458.2125)

Gln Pro Gln Ser

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-hydroxypropanoic acid

C18H30N6O8 (458.2125)

Gln Pro Ser Gln

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-4-carbamoylbutanoic acid

C18H30N6O8 (458.2125)

Gln Pro Thr Asn

(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]-3-carbamoylpropanoic acid

C18H30N6O8 (458.2125)

Gln Gln Pro Ser

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid

C18H30N6O8 (458.2125)

Gln Gln Ser Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C18H30N6O8 (458.2125)

Gln Ser Pro Gln

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

C18H30N6O8 (458.2125)

Gln Ser Gln Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

C18H30N6O8 (458.2125)

Gln Thr Asn Pro

(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C18H30N6O8 (458.2125)

Gln Thr Pro Asn

(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid

C18H30N6O8 (458.2125)

Ser Pro Gln Gln

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

C18H30N6O8 (458.2125)

Ser Gln Pro Gln

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

C18H30N6O8 (458.2125)

Ser Gln Gln Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

C18H30N6O8 (458.2125)

Thr His Thr Thr

(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid

C18H30N6O8 (458.2125)

Thr Asn Pro Gln

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

C18H30N6O8 (458.2125)

Thr Asn Gln Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

C18H30N6O8 (458.2125)

Thr Pro Asn Gln

(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C18H30N6O8 (458.2125)

Thr Pro Gln Asn

(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C18H30N6O8 (458.2125)

Thr Gln Asn Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C18H30N6O8 (458.2125)

Thr Gln Pro Asn

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid

C18H30N6O8 (458.2125)

Thr Thr His Thr

(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanoic acid

C18H30N6O8 (458.2125)

Thr Thr Thr His

(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C18H30N6O8 (458.2125)

Val Asp Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-carboxypropanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Val Asp Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C19H30N4O9 (458.2013)

Val Glu Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carboxybutanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O9 (458.2013)

Val Glu Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C19H30N4O9 (458.2013)

Val Pro Asp Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]pentanedioic acid

C19H30N4O9 (458.2013)

Val Pro Glu Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-carboxybutanamido]butanedioic acid

C19H30N4O9 (458.2013)

2-Hydroxydesmethylimipramine glucuronide

C24H30N2O7 (458.2053)

Digalactosyldiacylglyceride Mixture

C18H34O13 (458.1999)

(4R,5S)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole

C31H26N2O2 (458.1994)

4-((1H-INDAZOL-6-YL)AMINO)-6-METHOXY-7-(3-MORPHOLINOPROPOXY)QUINOLINE-3-CARBONITRILE

C25H26N6O3 (458.2066)

p-Sexiphenyl

C36H26 (458.2034)

decanedioic acid,dimethyl benzene-1,4-dicarboxylate,ethane-1,2-diol

C22H34O10 (458.2152)

2-Ethoxy-1-[[2-[(hydroxyamino)iminomethyl][1,1-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid ethyl ester

C26H26N4O4 (458.1954)

3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-1-3-(1-methylethoxy)propyl-2-oxo-5-4-(phenylazo)phenylazo-

C25H26N6O3 (458.2066)

2-C-(2,3,4,6-Tetra-O-benzyl-a-D-glucopyranosyl) ethyne

C29H30O5 (458.2093)

2-(1-((2-(1H-tetrazol-5-yl)-[1,1-biphenyl]-4-yl)Methyl)-2-butyl-4-Methyl-6-oxo-1,6-dihydropyriMidin-5-yl)acetic acid

C25H26N6O3 (458.2066)

tributyl(5-hexylthiophen-2-yl)stannane

C22H42SSn (458.2029)

(1R,3R,5S,6R)-8-Methyl-3-[(3,4,5-trimethoxybenzoyl)oxy]-8-azabicy clo[3.2.1]oct-6-yl 1-methyl-1H-pyrrole-2-carboxylate

C24H30N2O7 (458.2053)

Ethyl 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate

C22H27FN6O4 (458.2078)

2-Hydroxy-desipramine glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[3-(methylamino)propyl]-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-6-yl}oxy)oxane-2-carboxylic acid

C24H30N2O7 (458.2053)

2-amino-N-[5-[(6-dimethylamino-9H-purin-9-yl)]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)-propanamid

C21H28N7O5+ (458.2152)

O-demethylpuromycin(1+)

C21H28N7O5+ (458.2152)

The conjugate acid of O-demethylpuromycin; major species at pH 7.3.

3-[(2-methoxyphenyl)methyl]-5-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one

C25H26N6O3 (458.2066)

1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(3-pyridinylmethyl)urea

C26H26N4O4 (458.1954)

2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

C23H27FN4O5 (458.1965)

2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

C23H27FN4O5 (458.1965)

2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

C23H27FN4O5 (458.1965)

2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

C23H27FN4O5 (458.1965)

2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

C23H27FN4O5 (458.1965)

2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

C23H27FN4O5 (458.1965)

2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

C23H27FN4O5 (458.1965)

2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

C23H27FN4O5 (458.1965)

(1-phosphonooxy-3-propanoyloxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C22H35O8P (458.2069)

Avitriptan

C22H30N6O3S (458.21)

C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist

MGGA 13:3

C22H34O10 (458.2152)

PA 3:0_16:4

C22H35O8P (458.2069)

ST 22:2;O5;S

C22H34O8S (458.1974)

ST 26:6;O2;S

C26H34O5S (458.2127)

FABPs ligand 6

C28H27FN2O3 (458.2006)

FABPs ligand 6 (MF6) is an FABP5 and FABP7 inhibitor with KD values of 874 nM and 20 nM, respectively. FABPs ligand 6 can be used for multiple sclerosis research[1].

(1's,2s,3'r,4'r,10's,15'r)-3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one

(1's,2s,3'r,4'r,10's,15'r)-3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one

C24H30N2O7 (458.2053)

2,9,18-trimethyl (1r,9s,15s,16r,18r)-15-hydroxy-2,12-diazapentacyclo[14.2.2.0¹,⁹.0³,⁸.0¹²,¹⁶]icosa-3,5,7-triene-2,9,18-tricarboxylate

C24H30N2O7 (458.2053)

2,18-dimethyl (1s,9r,16s,17s,18r,21r)-17,18-dihydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate

C24H30N2O7 (458.2053)

5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-f]chromen-2-one

C29H30O5 (458.2093)

n-[(11s,17s)-10-hydroxy-2,16-dioxo-1,9,15-triazapentacyclo[17.6.1.0³,⁸.0¹¹,¹⁵.0²⁰,²⁵]hexacosa-3,5,7,9,19(26),20,22,24-octaen-17-yl]-n-methylacetamide

C26H26N4O4 (458.1954)

3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-(4-methyl-5-oxooxolan-2-yl)-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one

C24H30N2O7 (458.2053)

(8r)-5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-f]chromen-2-one

C29H30O5 (458.2093)

2-(deca-4,6-diyn-1-yloxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C22H34O10 (458.2152)

(2r,3r,4s,5s,6r)-2-(deca-4,6-diyn-1-yloxy)-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C22H34O10 (458.2152)

5-hydroxy-6-isobutyryl-8-methyl-8-(4-methyl-pent-3-enyl)-4-phenyl-2h-pyrano[2,3-h ]chro-men-2-one

C29H30O5 (458.2093)

{"Ingredient_id": "HBIN011628","Ingredient_name": "5-hydroxy-6-isobutyryl-8-methyl-8-(4-methyl-pent-3-enyl)-4-phenyl-2h-pyrano[2,3-h ]chro-men-2-one","Alias": "NA","Ingredient_formula": "C29H30O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10240","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

n-{10-hydroxy-2,16-dioxo-1,9,15-triazapentacyclo[17.6.1.0³,⁸.0¹¹,¹⁵.0²⁰,²⁵]hexacosa-3,5,7,9,19(26),20,22,24-octaen-17-yl}-n-methylacetamide

C26H26N4O4 (458.1954)

2,9,18-trimethyl (1r,9s,15r,16r,18r)-15-hydroxy-2,12-diazapentacyclo[14.2.2.0¹,⁹.0³,⁸.0¹²,¹⁶]icosa-3,5,7-triene-2,9,18-tricarboxylate

C24H30N2O7 (458.2053)

2,18-dimethyl 17,18-dihydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate

C24H30N2O7 (458.2053)

3-oxo-3-[(3,4,5-trihydroxy-6-{[4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl]oxy}oxan-2-yl)methoxy]propanoic acid

C22H34O10 (458.2152)

(1s,9r,16r,18s,21s)-18-hydroxy-4-methoxy-2,18-bis(methoxycarbonyl)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-trien-12-ium-12-olate

C24H30N2O7 (458.2053)

(1's,2r,3's,4'r,10's,15'r)-3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one

(1's,2r,3's,4'r,10's,15'r)-3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one

C24H30N2O7 (458.2053)

(2s,3r,4s,5s,6r)-2-(5-isopropyl-2-methylphenoxy)-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C22H34O10 (458.2152)

methyl (1r,3s,3ar,8as)-1-(2-methoxy-2-oxoethyl)-3a-methyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydro-1h-azulene-6-carboxylate

C22H34O10 (458.2152)

5,13,17,19-tetrahydroxy-22,22-dimethyl-7-pentylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1,3(12),4,6,8,13,16,18,20-nonaen-15-one

C29H30O5 (458.2093)

(1's,2s,3's,4'r,10's,15'r)-3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one

(1's,2s,3's,4'r,10's,15'r)-3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one

C24H30N2O7 (458.2053)

3-oxo-3-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r)-4-[(1s)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-2-yl]methoxy}propanoic acid

C22H34O10 (458.2152)

(1s,9r,12s,16r,18s,21s)-18-hydroxy-4-methoxy-2,18-bis(methoxycarbonyl)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-trien-12-ium-12-olate

C24H30N2O7 (458.2053)

(2r,3r,4s,5r)-2-(hydroxymethyl)-6-[3-(3-{[(3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propoxy)propoxy]oxane-3,4,5-triol

C18H34O13 (458.1999)

methyl (1r,3s,3ar,8as)-1-(2-methoxy-2-oxoethyl)-3a-methyl-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydro-1h-azulene-6-carboxylate

C22H34O10 (458.2152)

2-(5-isopropyl-2-methylphenoxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C22H34O10 (458.2152)

methyl (1r,3ar)-1-(2-methoxy-2-oxoethyl)-3a-methyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydro-1h-azulene-6-carboxylate

C22H34O10 (458.2152)