Exact Mass: 961.3413386

Exact Mass Matches: 961.3413386

Found 12 metabolites which its exact mass value is equals to given mass value 961.3413386, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Triptonine B

Triptonine B

C45H55NO22 (961.321557)


A sesquiterpene alkaloid with anti-HIV activity isolated from Tripterygium hypoglaucum.

   

1beta,2beta,5alpha,8beta-tetraacetoxy-3alpha,15[12-hydroxy-2,3-dimethyl-3(3-carboxy-4-pyridyl)-propanoic acid]dicarbolactone-4alpha-hydroxy-7beta,11{1-[(methoxycarbonyl)methyl]-5-methyl-2-oxopentane-1,5-dicarboxylic acid}dicarbolactone dihydroagarofuran|triptonine B

1beta,2beta,5alpha,8beta-tetraacetoxy-3alpha,15[12-hydroxy-2,3-dimethyl-3(3-carboxy-4-pyridyl)-propanoic acid]dicarbolactone-4alpha-hydroxy-7beta,11{1-[(methoxycarbonyl)methyl]-5-methyl-2-oxopentane-1,5-dicarboxylic acid}dicarbolactone dihydroagarofuran|triptonine B

C45H55NO22 (961.321557)


   

(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

C39H51N11O18 (961.3413386)


   

methyl 2-[(1S,2R,3R,4R,15R,16R,17R,18S,32R,34S,35S)-2,16,17,35-tetraacetyloxy-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.14,15.01,15.03,32.023,28]pentatriaconta-23(28),24,26-trien-11-yl]acetate

methyl 2-[(1S,2R,3R,4R,15R,16R,17R,18S,32R,34S,35S)-2,16,17,35-tetraacetyloxy-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.14,15.01,15.03,32.023,28]pentatriaconta-23(28),24,26-trien-11-yl]acetate

C45H55NO22 (961.321557)


   

methyl 2-[2,16,17,35-tetrakis(acetyloxy)-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.1⁴,¹⁵.0¹,¹⁵.0³,³².0²³,²⁸]pentatriaconta-23,25,27-trien-11-yl]acetate

methyl 2-[2,16,17,35-tetrakis(acetyloxy)-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.1⁴,¹⁵.0¹,¹⁵.0³,³².0²³,²⁸]pentatriaconta-23,25,27-trien-11-yl]acetate

C45H55NO22 (961.321557)


   

(2r)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

(2r)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C42H59N9O15S (961.3851144)


   

methyl 2-[(1s,2r,3r,4r,7s,11r,15r,16r,17r,18s,21s,22r,32r,35s)-2,16,17,35-tetrakis(acetyloxy)-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.1⁴,¹⁵.0¹,¹⁵.0³,³².0²³,²⁸]pentatriaconta-23,25,27-trien-11-yl]acetate

methyl 2-[(1s,2r,3r,4r,7s,11r,15r,16r,17r,18s,21s,22r,32r,35s)-2,16,17,35-tetrakis(acetyloxy)-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.1⁴,¹⁵.0¹,¹⁵.0³,³².0²³,²⁸]pentatriaconta-23,25,27-trien-11-yl]acetate

C45H55NO22 (961.321557)


   

(2s)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

(2s)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C42H59N9O15S (961.3851144)


   

n-[2-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

n-[2-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C42H59N9O15S (961.3851144)


   

methyl 2-[(1s,2r,3r,4r,7s,11r,15r,16r,17r,18s,21r,22r,32r,34s,35s)-2,16,17,35-tetrakis(acetyloxy)-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.1⁴,¹⁵.0¹,¹⁵.0³,³².0²³,²⁸]pentatriaconta-23,25,27-trien-11-yl]acetate

methyl 2-[(1s,2r,3r,4r,7s,11r,15r,16r,17r,18s,21r,22r,32r,34s,35s)-2,16,17,35-tetrakis(acetyloxy)-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.1⁴,¹⁵.0¹,¹⁵.0³,³².0²³,²⁸]pentatriaconta-23,25,27-trien-11-yl]acetate

C45H55NO22 (961.321557)


   

n-[(2s,11r,12s)-2-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

n-[(2s,11r,12s)-2-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C42H59N9O15S (961.3851144)