Exact Mass: 499.2785

Exact Mass Matches: 499.2785

Found 20 metabolites which its exact mass value is equals to given mass value 499.2785, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Aconine

(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol

C25H41NO9 (499.2781)


A diterpene alkaloid with formula C25H41NO9 that is isolated from several Aconitum species. Aconine is a diterpene alkaloid with formula C25H41NO9 that is isolated from several Aconitum species. It has a role as a plant metabolite, a human urinary metabolite, a NF-kappaB inhibitor and a xenobiotic. It is a bridged compound, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a tertiary amino compound, a pentol, a secondary alcohol and a tertiary alcohol. It derives from a hydride of an aconitane. Jesaconine is a natural product found in Euglena gracilis, Aconitum, and Aconitum pendulum with data available. Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation. Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation.

   

Aconine

11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol

C25H41NO9 (499.2781)


Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation. Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation.

   

L-Alaninamide,N-[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-3-(2-naphthalenyl)-L-alanyl-N-(2-aminoethyl)-

N-[1-({1-[(2-aminoethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-(naphthalen-2-yl)ethyl]-2-[(dihydroxycarbonimidoyl)methyl]-4-methylpentanimidate

C26H37N5O5 (499.2795)


   

Pro Val Val Trp

(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-methyl-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanamido]propanoic acid

C26H37N5O5 (499.2795)


   

Pro Val Trp Val

(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]-3-methylbutanoic acid

C26H37N5O5 (499.2795)


   

Pro Trp Val Val

(2S)-2-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-methylbutanamido]-3-methylbutanoic acid

C26H37N5O5 (499.2795)


   

Val Pro Val Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C26H37N5O5 (499.2795)


   

Val Pro Trp Val

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid

C26H37N5O5 (499.2795)


   

Val Val Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C26H37N5O5 (499.2795)


   

Val Val Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C26H37N5O5 (499.2795)


   

Val Trp Pro Val

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid

C26H37N5O5 (499.2795)


   

Val Trp Val Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C26H37N5O5 (499.2795)


   

Trp Pro Val Val

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-methylbutanoic acid

C26H37N5O5 (499.2795)


   

Trp Val Pro Val

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid

C26H37N5O5 (499.2795)


   

Trp Val Val Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C26H37N5O5 (499.2795)


   

5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione

5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione

C24H45NO6Si2 (499.2785)


   

ST 23:1;O7;Gly

ST 23:1;O7;Gly

C25H41NO9 (499.2781)


   

aconine

MFCD09039102; Ambap20562-03-2; alpha-Chaconine; CHEMBL2288884; ZINC245190581; alpha-Chaconine with HPLC; aconine ; (3b)-Solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1-2)-O-(6-deoxy-a-L-mannopyranosyl-(1-4))-b-D-glucopyranoside; a-Chaconine; AC-20170; b-D-Glucopyranoside, (3b)-solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1?2)-O-[6-deoxy-a-L-mannopyranosyl-(1?4)]-; BC216164; AKOS015965211; 20562-03-2

C25H41NO9 (499.2781)


{"Ingredient_id": "HBIN014572","Ingredient_name": "aconine","Alias": "MFCD09039102; Ambap20562-03-2; alpha-Chaconine; CHEMBL2288884; ZINC245190581; alpha-Chaconine with HPLC; aconine ; (3b)-Solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1-2)-O-(6-deoxy-a-L-mannopyranosyl-(1-4))-b-D-glucopyranoside; a-Chaconine; AC-20170; b-D-Glucopyranoside, (3b)-solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1?2)-O-[6-deoxy-a-L-mannopyranosyl-(1?4)]-; BC216164; AKOS015965211; 20562-03-2","Ingredient_formula": "C25H41NO9","Ingredient_Smile": "CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6O)(C(C5O)OC)O)O)OC)OC)O)COC","Ingredient_weight": "499.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18380","TCMID_id": "23512","TCMSP_id": "NA","TCM_ID_id": "7198;19282","PubChem_id": "137706549","DrugBank_id": "NA"}

   

(1s,5r,6s,7s,8r,9r,10r,13r,14r,16s)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol

(1s,5r,6s,7s,8r,9r,10r,13r,14r,16s)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol

C25H41NO9 (499.2781)


   

(2r,3r,5r,8r,10r,17s)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol

(2r,3r,5r,8r,10r,17s)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol

C25H41NO9 (499.2781)