Exact Mass: 464.30387700000006

Exact Mass Matches: 464.30387700000006

Found 110 metabolites which its exact mass value is equals to given mass value 464.30387700000006, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

25d20E

(2S,3R,5R,9R,10R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6(10H)-one

C27H44O6 (464.3137724)


Ponasterone A is a 2beta-hydroxy steroid, a 3beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 20-hydroxy steroid, a 22-hydroxy steroid, a 6-oxo steroid and a phytoecdysteroid. Ponasterone A is a natural product found in Zoanthus, Lomaridium contiguum, and other organisms with data available. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Ponasterone A (25-Deoxyecdysterone), an ecdysteroid, has strong affinity for the ecdysone receptor. Ponasterone A is a potent regulator of gene expression in cells and transgenic animals, enabling reporter genes to be turned on and off rapidly[1][2].

   

ecdysone

17-(3,6-dihydroxy-6-methylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

C27H44O6 (464.3137724)


A 6-oxo steroid that is 5beta-cholest-7-en-6-one substituted by hydroxy groups at positions 2, 3, 14, 22 and 25 respectively (the 2beta, 3beta, 22R stereoisomer). It is a steroid prohormone of the major insect moulting hormone 20-hydroxyecdysone. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Ecdysone, also known as molting hormone, belongs to pentahydroxy bile acids, alcohols and derivatives class of compounds. Those are bile acids, alcohols or derivatives bearing five hydroxyl groups. Thus, ecdysone is considered to be a sterol lipid molecule. Ecdysone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Ecdysone can be synthesized from 5beta-cholestane. Ecdysone is also a parent compound for other transformation products, including but not limited to, (25R)-11alpha,20,26-trihydroxyecdysone, (24R)-11alpha,20,24-trihydroxyecdysone, and ecdysone 25-O-D-glucopyranoside. Ecdysone can be found in spinach, which makes ecdysone a potential biomarker for the consumption of this food product. Ecdysone is a steroidal prohormone of the major insect molting hormone 20-hydroxyecdysone, which is secreted from the prothoracic glands. Insect molting hormones (ecdysone and its homologues) are generally called ecdysteroids. Ecdysteroids act as moulting hormones of arthropods but also occur in other related phyla where they can play different roles. In Drosophila melanogaster, an increase in ecdysone concentration induces the expression of genes coding for proteins that the larva requires, and it causes chromosome puffs (sites of high expression) to form in polytene chromosomes. Recent findings in Chris Q. Doe lab have found a novel role of this hormone in regulating temporal gene transitions within neural stem cells. Ecdysone and other ecdysteroids also appear in many plants mostly as a protection agent (toxins or antifeedants) against herbivorous insects. These phytoecdysteroids have been reputed to have medicinal value and are part of herbal adaptogenic remedies like Cordyceps, yet an ecdysteroid precursor in plants has been shown to have cytotoxic properties. A pesticide sold with the name MIMIC has ecdysteroid activity, although its chemical structure has little resemblance to the ecdysteroids . Ecdysone (α-Ecdysone), a major steroid hormone in insects and herbs, triggers mineralocorticoid receptor (MR) activation and induces cellular apoptosis. Ecdysone plays essential roles in coordinating developmental transitions and homeostatic sleep regulation through its active metabolite 20-hydroxyecdysone (Crustecdysone; 20E; HY-N6979)[1][2].

   
   

Glycohyocholate

(4R)-N-(carboxymethyl)-4-[(1S,2R,5R,7R,8R,9S,10S,11S,14R,15R)-5,8,9-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanecarboximidate

C26H42NO6- (464.30119720000005)


   

1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione

1-[6-({5-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-yl}amino)hexyl]-2,5-dihydro-1H-pyrrole-2,5-dione

C29H40N2O3 (464.30387700000006)


   

Ecdysone

(2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

C27H44O6 (464.3137724)


   

Foropafant

N-[2-(dimethylamino)ethyl]-N-[(pyridin-3-yl)methyl]-4-[2,4,6-tris(propan-2-yl)phenyl]-1,3-thiazol-2-amine

C28H40N4S (464.29735200000005)


C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors

   

Ponasterone A

14-(2,3-dihydroxy-6-methylheptan-2-yl)-4,5,11-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one

C27H44O6 (464.3137724)


   

Vitamin D3 sulfate

(3-{2-[7a-methyl-1-(6-methylheptan-2-yl)-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexyl)oxidanesulphonic acid

C27H44O4S (464.29601440000005)


   
   
   
   

2-Deoxy-20-hydroxyecdysone

2-Deoxy-20-hydroxyecdysone

C27H44O6 (464.3137724)


   

Taxisterone

2beta,3beta,14alpha,20R,25-pentahydroxy-5beta-cholest-7-en-6-one

C27H44O6 (464.3137724)


   
   
   
   

N-(16-amino-4,8-dihydroxy-4,8,13-triazahexadecyl)-4-hydroxy-1H-indole-3-acetamide

N-(16-amino-4,8-dihydroxy-4,8,13-triazahexadecyl)-4-hydroxy-1H-indole-3-acetamide

C23H40N6O4 (464.31108800000004)


   

2,3,9,20,21-pentahydroxycholest-7-en-6-one|arunachalsterone

2,3,9,20,21-pentahydroxycholest-7-en-6-one|arunachalsterone

C27H44O6 (464.3137724)


   
   

N-(16-amino-5,9-dihydroxy-5,9,13-triazahexadecyl)-4-hydroxyindole-3-acetamide

N-(16-amino-5,9-dihydroxy-5,9,13-triazahexadecyl)-4-hydroxyindole-3-acetamide

C23H40N6O4 (464.31108800000004)


   

Alliogenin

(25R)-spirostan-2alpha,3beta,5alpha,6beta-tetrol

C27H44O6 (464.3137724)


   

brahiusterone|brahuisterone

brahiusterone|brahuisterone

C27H44O6 (464.3137724)


   

O-3-(2,3-dehydro-beta-methyl)valeroyl-alpha-bisabolol beta-D-fucopyranoside

O-3-(2,3-dehydro-beta-methyl)valeroyl-alpha-bisabolol beta-D-fucopyranoside

C27H44O6 (464.3137724)


   

(25R)-5beta-spirostane-(1alpha,2alpha,3alpha,4alpha)-tetrol

(25R)-5beta-spirostane-(1alpha,2alpha,3alpha,4alpha)-tetrol

C27H44O6 (464.3137724)


   
   

7beta-acetoxy-6alpha-isobutyryloxy-13,14-dihydrokolavenic acid methyl ester

7beta-acetoxy-6alpha-isobutyryloxy-13,14-dihydrokolavenic acid methyl ester

C27H44O6 (464.3137724)


   

Me ester,12-Ac-(1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid

Me ester,12-Ac-(1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid

C27H44O6 (464.3137724)


   
   

PeriplocosideN

(2R,3S,4R,6S)-6-[(1S)-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol

C27H44O6 (464.3137724)


PeriplocosideN is a natural product found in Periploca sepium with data available. Periplocoside N, a pregnane glycoside isolated from root powder of Periploca sepium, possesses insecticidal activities against the red imported fire ant[1]. Periplocoside N, a pregnane glycoside isolated from root powder of Periploca sepium, possesses insecticidal activities against the red imported fire ant[1].

   

(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

C27H44O6 (464.3137724)


   

[4,5-dihydroxy-6-methyl-2-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]oxan-3-yl] (E)-3-methylpent-2-enoate

NCGC00385264-01![4,5-dihydroxy-6-methyl-2-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]oxan-3-yl] (E)-3-methylpent-2-enoate

C27H44O6 (464.3137724)


   

2b-Hydroxyecdysone

2-Deoxy-20-hydroxyecdysone

C27H44O6 (464.3137724)


   

Ponasterone A

Ponasterone A

C27H44O6 (464.3137724)


Ponasterone A (25-Deoxyecdysterone), an ecdysteroid, has strong affinity for the ecdysone receptor. Ponasterone A is a potent regulator of gene expression in cells and transgenic animals, enabling reporter genes to be turned on and off rapidly[1][2].

   

C27H44O6_1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-yl 6-deoxy-2-O-[(2E)-3-methyl-2-pentenoyl]-beta-L-galactopyranoside

NCGC00385264-02_C27H44O6_1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-yl 6-deoxy-2-O-[(2E)-3-methyl-2-pentenoyl]-beta-L-galactopyranoside

C27H44O6 (464.3137724)


   

2-Deoxycrustecdysone

2-Deoxy-20-hydroxyecdysone

C27H44O6 (464.3137724)


SubCategory_DNP: : The sterols, Cholestanes

   

(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]

NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]

C27H44O6 (464.3137724)


   

(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000845083]

NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000845083]

C27H44O6 (464.3137724)


   

22-iso-ecdysone

(22S)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one

C27H44O6 (464.3137724)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

7-Dehydrocholesterol-3-sulfate ester

7-Dehydrocholesterol-3-sulfate ester

C27H44O4S (464.29601440000005)


   

(6R)-25-hydroxyvitamin D3 6,19-sulfur dioxide adduct / (6R)-25-hydroxycholecalciferol 6,19-sulfurdioxide adduct

(6R)-25-hydroxyvitamin D3 6,19-sulfur dioxide adduct / (6R)-25-hydroxycholecalciferol 6,19-sulfurdioxide adduct

C27H44O4S (464.29601440000005)


   

(6S)-25-hydroxyvitamin D3 6,19-sulfur dioxide adduct / (6S)-25-hydroxycholecalciferol 6,19-sulfurdioxide adduct

(6S)-25-hydroxyvitamin D3 6,19-sulfur dioxide adduct / (6S)-25-hydroxycholecalciferol 6,19-sulfurdioxide adduct

C27H44O4S (464.29601440000005)


   

11α-(chloromethyl)-1α,25-dihydroxyvitamin D3 / 11α-(chloromethyl)-1α,25-dihydroxycholecalciferol

11α-(chloromethyl)-1α,25-dihydroxyvitamin D3 / 11α-(chloromethyl)-1α,25-dihydroxycholecalciferol

C28H45ClO3 (464.305705)


   

Vitamin D3 sulfoconjugate

(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-sulfonic acid

C27H44O4S (464.29601440000005)


   

3α,6α,7α,12α-Tetrahydroxy-5β-cholest-24-en-26-oic acid

3α,6α,7α,12α-Tetrahydroxy-5β-cholest-24-en-26-oic acid

C27H44O6 (464.3137724)


   

U-73122

1-[6-[[(17β)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]-1H-pyrrole-2,5-dione

C29H40N2O3 (464.30387700000006)


U-73122 is a phospholipase C (PLC) and 5-LO (5-lipoxygenase) inhibitor with an IC50of 1-2.1 μM for PLC.

   

3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic acid

3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic acid

C27H44O6 (464.3137724)


   

3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-23E-cholestan-27-oic acid

3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-23E-cholestan-27-oic acid

C27H44O6 (464.3137724)


   

ST 27:2;O6

3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic acid

C27H44O6 (464.3137724)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

Palythone A

4alpha,14alpha,20R,22R,25-pentahydroxy-5beta-cholesta-7-en-6-one

C27H44O6 (464.3137724)


   

Neoallilogenin

(25S)-5alpha-spirostan-2alpha,3beta,5alpha,6beta-tetrol

C27H44O6 (464.3137724)


   

Convallagenin B

(25S)-spirostan-1beta,3beta,4beta,5beta-tetrol

C27H44O6 (464.3137724)


   

Agavegenin A

(25R)-5alpha-spirostan-3beta,6alpha,11alpha,23S-tetrol

C27H44O6 (464.3137724)


   

(6R)-25-hydroxyvitamin D3 6,19-sulfur dioxide adduct

(7E)-(3S,6R)-6,19-epithio-9,10-seco-5(10),7-cholestadiene-3,25-diol S,S-dioxide

C27H44O4S (464.29601440000005)


   

(6S)-25-hydroxyvitamin D3 6,19-sulfur dioxide adduct

(7E)-(3S,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadiene-3,25-diol S,S-dioxide

C27H44O4S (464.29601440000005)


   

11alpha-(chloromethyl)-1alpha,25-dihydroxyvitamin D3

(5Z,7E)-(1S,3R,11S)-11-(chloromethyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

C28H45O3Cl (464.30570500000005)


   

(5-Amino-2-butyl-3-benzofuranyl)[4-[2-(dibutylamino)ethoxy]phenyl]methanone

(5-Amino-2-butyl-3-benzofuranyl)[4-[2-(dibutylamino)ethoxy]phenyl]methanone

C29H40N2O3 (464.30387700000006)


   
   
   

(4R)-N-(carboxymethyl)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanimidate

(4R)-N-(carboxymethyl)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanimidate

C26H42NO6- (464.30119720000005)


   

U73122

1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione

C29H40N2O3 (464.30387700000006)


D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors U-73122 is a phospholipase C (PLC) and 5-LO (5-lipoxygenase) inhibitor with an IC50of 1-2.1 μM for PLC.

   

3-cyclohexyl-1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   

3-cyclohexyl-1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

C23H40N6O4 (464.31108800000004)


   
   
   
   
   
   

[(E)-3-hydroxy-2-(octanoylamino)non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-3-hydroxy-2-(octanoylamino)non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C22H45N2O6P (464.301508)


   

[(E)-3-hydroxy-2-(pentanoylamino)dodec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-3-hydroxy-2-(pentanoylamino)dodec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C22H45N2O6P (464.301508)


   

[(E)-2-acetamido-3-hydroxypentadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-2-acetamido-3-hydroxypentadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C22H45N2O6P (464.301508)


   

[(E)-3-hydroxy-2-(propanoylamino)tetradec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-3-hydroxy-2-(propanoylamino)tetradec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C22H45N2O6P (464.301508)


   

[(E)-2-(heptanoylamino)-3-hydroxydec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-2-(heptanoylamino)-3-hydroxydec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C22H45N2O6P (464.301508)


   

[(E)-2-(hexanoylamino)-3-hydroxyundec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-2-(hexanoylamino)-3-hydroxyundec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C22H45N2O6P (464.301508)


   

[(E)-2-(butanoylamino)-3-hydroxytridec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-2-(butanoylamino)-3-hydroxytridec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C22H45N2O6P (464.301508)


   

(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

C27H44O6 (464.3137724)


   

[(E)-3-hydroxy-2-(nonanoylamino)oct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-3-hydroxy-2-(nonanoylamino)oct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C22H45N2O6P (464.301508)


   

[1-carboxy-3-[3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium

[1-carboxy-3-[3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium

C26H42NO6+ (464.30119720000005)


   

Glycohyocholate

Glycohyocholate

C26H42NO6- (464.30119720000005)


A cholanic acid conjugate anion that is the conjugate base of glycohyocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

glycocholate

glycocholate

C26H42NO6 (464.30119720000005)


A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

MGMG(14:0)

MGMG(14:0)

C23H44O9 (464.29851740000004)


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Tetrahydroxycholestenoic acid

Tetrahydroxycholestenoic acid

C27H44O6 (464.3137724)


   
   

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r)-2,6-dihydroxy-6-methylheptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r)-2,6-dihydroxy-6-methylheptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

C27H44O6 (464.3137724)


   

(2r,4s,5r,7r,8s,9r,13r,15s,16s,18s,19r,20r)-5,15,16,19,20-pentahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-3-one

(2r,4s,5r,7r,8s,9r,13r,15s,16s,18s,19r,20r)-5,15,16,19,20-pentahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-3-one

C27H44O6 (464.3137724)


   

(7r)-1-hydroxy-16,16-dimethoxyhexadecan-7-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

(7r)-1-hydroxy-16,16-dimethoxyhexadecan-7-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C27H44O6 (464.3137724)


   

(2s,3s,4s,6r)-6-[(1s)-1-[(1r,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethoxy]-2-methyloxane-3,4-diol

(2s,3s,4s,6r)-6-[(1s)-1-[(1r,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethoxy]-2-methyloxane-3,4-diol

C27H44O6 (464.3137724)


   

(2e,6r)-n-[(3s,7s,10s)-3-[(2s)-butan-2-yl]-2,9-dihydroxy-7-methyl-5,6-dioxo-1,4,8-triazacyclotrideca-1,8-dien-10-yl]-6-methyloct-2-enimidic acid

(2e,6r)-n-[(3s,7s,10s)-3-[(2s)-butan-2-yl]-2,9-dihydroxy-7-methyl-5,6-dioxo-1,4,8-triazacyclotrideca-1,8-dien-10-yl]-6-methyloct-2-enimidic acid

C24H40N4O5 (464.29985500000004)