Exact Mass: 546.2511928
Exact Mass Matches: 546.2511928
Found 363 metabolites which its exact mass value is equals to given mass value 546.2511928
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Baccharinoid B 13
Baccharene
Baccharinoid B 12
Baccharinoid B 17
Baccharinoid B 21
16-Hydroxyroridin L2
Baccharinoid B 16
[7R(S),9R,10S]-2,3-Didehydro-7-deoxo-2-deoxy-9,10-epoxy-9,10-dihydro-4-hydroxy-7-(1-hydroxyethyl)verrucarin A
Baccharinoid B 14
[2E,7R(S),8R]-2,3-Didehydro-7-deoxo-2-deoxy-4,8-dihydroxy-7-(1-hydroxyethyl)verrucarin A
methyl nomilinate|Methyl-nomilinat|Nomilinsaeure-methylester
2-Ac,3-propanoyl-(2beta,3beta,5beta,11alpha,14beta)-2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide
His Tyr Ile Asp
Ala Asp Arg Trp
Ala Asp Trp Arg
Ala Phe Phe Tyr
Ala Phe Tyr Phe
Ala Arg Asp Trp
Ala Arg Trp Asp
Ala Trp Asp Arg
Ala Trp Arg Asp
Ala Tyr Phe Phe
Asp Ala Arg Trp
Asp Ala Trp Arg
Asp His Ile Tyr
Asp His Leu Tyr
Asp His Tyr Ile
Asp His Tyr Leu
Asp Ile His Tyr
Asp Ile Asn Trp
Asp Ile Trp Asn
Asp Ile Tyr His
Asp Leu His Tyr
Asp Leu Asn Trp
Asp Leu Trp Asn
Asp Leu Tyr His
Asp Asn Ile Trp
Asp Asn Leu Trp
Asp Asn Trp Ile
Asp Asn Trp Leu
Asp Gln Val Trp
Asp Gln Trp Val
Asp Arg Ala Trp
Asp Arg Trp Ala
Asp Val Gln Trp
Asp Val Trp Gln
Asp Trp Ala Arg
Asp Trp Ile Asn
Asp Trp Leu Asn
Asp Trp Asn Ile
Asp Trp Asn Leu
Asp Trp Gln Val
Asp Trp Arg Ala
Asp Trp Val Gln
Asp Tyr His Ile
Asp Tyr His Leu
Asp Tyr Ile His
Asp Tyr Leu His
Glu Gly Arg Trp
Glu Gly Trp Arg
Glu His Val Tyr
Glu His Tyr Val
Glu Asn Val Trp
Glu Asn Trp Val
Glu Arg Gly Trp
Glu Arg Trp Gly
Glu Val His Tyr
Glu Val Asn Trp
Glu Val Trp Asn
Glu Val Tyr His
Glu Trp Gly Arg
Glu Trp Asn Val
Glu Trp Arg Gly
Glu Trp Val Asn
Glu Tyr His Val
Glu Tyr Val His
Phe Ala Phe Tyr
Phe Ala Tyr Phe
Phe Phe Ala Tyr
Phe Phe Phe Ser
Phe Phe His Pro
Phe Phe Pro His
Phe Phe Ser Phe
Phe Phe Tyr Ala
Phe His Phe Pro
Phe His Pro Phe
Phe Pro Phe His
Phe Pro His Phe
Phe Ser Phe Phe
Phe Tyr Ala Phe
Phe Tyr Phe Ala
Gly Glu Arg Trp
Gly Glu Trp Arg
Gly Arg Glu Trp
Gly Arg Trp Glu
Gly Val Trp Trp
Gly Trp Glu Arg
Gly Trp Arg Glu
Gly Trp Val Trp
Gly Trp Trp Val
His Asp Ile Tyr
His Asp Leu Tyr
His Asp Tyr Ile
His Asp Tyr Leu
His Glu Val Tyr
His Glu Tyr Val
His Phe Phe Pro
His Phe Pro Phe
His Ile Asp Tyr
His Ile Tyr Asp
His Leu Asp Tyr
His Leu Tyr Asp
His Pro Phe Phe
His Val Glu Tyr
His Val Tyr Glu
His Tyr Asp Ile
His Tyr Asp Leu
His Tyr Glu Val
His Tyr Leu Asp
His Tyr Val Glu
Ile Asp His Tyr
Ile Asp Asn Trp
Ile Asp Trp Asn
Ile Asp Tyr His
Ile His Asp Tyr
Ile His Tyr Asp
Ile Asn Asp Trp
Ile Asn Trp Asp
Ile Trp Asp Asn
Ile Trp Asn Asp
Ile Tyr Asp His
Ile Tyr His Asp
Leu Asp His Tyr
Leu Asp Asn Trp
Leu Asp Trp Asn
Leu Asp Tyr His
Leu His Asp Tyr
Leu His Tyr Asp
Leu Asn Asp Trp
Leu Asn Trp Asp
Leu Trp Asp Asn
Leu Trp Asn Asp
Leu Tyr Asp His
Leu Tyr His Asp
Asn Asp Ile Trp
Asn Asp Leu Trp
Asn Asp Trp Ile
Asn Asp Trp Leu
Asn Glu Val Trp
Asn Glu Trp Val
Asn Ile Asp Trp
Asn Ile Trp Asp
Asn Leu Asp Trp
Asn Leu Trp Asp
Asn Val Glu Trp
Asn Val Trp Glu
Asn Trp Asp Ile
Asn Trp Asp Leu
Asn Trp Glu Val
Asn Trp Ile Asp
Asn Trp Leu Asp
Asn Trp Val Glu
Pro Phe Phe His
Pro Phe His Phe
Pro His Phe Phe
Gln Asp Val Trp
Gln Asp Trp Val
Gln Val Asp Trp
Gln Val Trp Asp
Gln Trp Asp Val
Gln Trp Val Asp
Arg Ala Asp Trp
Arg Ala Trp Asp
Arg Asp Ala Trp
Arg Asp Trp Ala
Arg Glu Gly Trp
Arg Glu Trp Gly
Arg Gly Glu Trp
Arg Gly Trp Glu
Arg Trp Ala Asp
Arg Trp Asp Ala
Arg Trp Glu Gly
Arg Trp Gly Glu
Ser Phe Phe Phe
Val Asp Gln Trp
Val Asp Trp Gln
Val Glu His Tyr
Val Glu Asn Trp
Val Glu Trp Asn
Val Glu Tyr His
Val Gly Trp Trp
Val His Glu Tyr
Val His Tyr Glu
Val Asn Glu Trp
Val Asn Trp Glu
Val Gln Asp Trp
Val Gln Trp Asp
Val Trp Asp Gln
Val Trp Glu Asn
Val Trp Gly Trp
Val Trp Asn Glu
Val Trp Gln Asp
Val Trp Trp Gly
Val Tyr Glu His
Val Tyr His Glu
Trp Ala Asp Arg
Trp Ala Arg Asp
Trp Asp Ala Arg
Trp Asp Ile Asn
Trp Asp Leu Asn
Trp Asp Asn Ile
Trp Asp Asn Leu
Trp Asp Gln Val
Trp Asp Arg Ala
Trp Asp Val Gln
Trp Glu Gly Arg
Trp Glu Asn Val
Trp Glu Arg Gly
Trp Glu Val Asn
Trp Gly Glu Arg
Trp Gly Arg Glu
Trp Gly Val Trp
Trp Gly Trp Val
Trp Ile Asp Asn
Trp Ile Asn Asp
Trp Leu Asp Asn
Trp Leu Asn Asp
Trp Asn Asp Ile
Trp Asn Asp Leu
Trp Asn Glu Val
Trp Asn Ile Asp
Trp Asn Leu Asp
Trp Asn Val Glu
Trp Gln Asp Val
Trp Gln Val Asp
Trp Arg Ala Asp
Trp Arg Asp Ala
Trp Arg Glu Gly
Trp Arg Gly Glu
Trp Val Asp Gln
Trp Val Glu Asn
Trp Val Gly Trp
Trp Val Asn Glu
Trp Val Gln Asp
Trp Val Trp Gly
Trp Trp Gly Val
Trp Trp Val Gly
Tyr Ala Phe Phe
Tyr Asp His Ile
Tyr Asp His Leu
Tyr Asp Ile His
Tyr Asp Leu His
Tyr Glu His Val
Tyr Glu Val His
Tyr Phe Ala Phe
Tyr Phe Phe Ala
Tyr His Asp Ile
Tyr His Asp Leu
Tyr His Glu Val
Tyr His Ile Asp
Tyr His Leu Asp
Tyr His Val Glu
Tyr Ile Asp His
Tyr Ile His Asp
Tyr Leu Asp His
Tyr Leu His Asp
Tyr Val Glu His
Tyr Val His Glu
Atrasentan hydrochloride
C29H39ClN2O6 (546.2496504000001)
C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist D065128 - Endothelin Receptor Antagonists > D065130 - Endothelin A Receptor Antagonists D000970 - Antineoplastic Agents Atrasentan hydrochloride (ABT-627 hydrochloride) is a selective endothelin A receptor antagonist with an IC50 of 0.0551 nM for ETA[1].
1-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[[(2R,3S)-9-(benzenesulfonamido)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2S,3S)-9-(benzenesulfonamido)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[[(2S,3S)-9-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2R,3R)-9-(benzenesulfonamido)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
(5S,6R,9R)-14-(benzenesulfonamido)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5R,6R,9S)-14-(benzenesulfonamido)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5R,6S,9S)-14-(benzenesulfonamido)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5S,6R,9S)-14-(benzenesulfonamido)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
1-[[(2S,3R)-9-(benzenesulfonamido)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[[(2S,3R)-9-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2R,3R)-9-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
(5R,6R,9R)-14-(benzenesulfonamido)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5S,6S,9S)-14-(benzenesulfonamido)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5S,6S,9R)-14-(benzenesulfonamido)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5R,6S,9R)-14-(benzenesulfonamido)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
[(4Z,6E,10E)-13,22-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,19,20-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22)-pentaen-9-yl] carbamate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
C26H43O10P (546.2593707999999)
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
C26H43O10P (546.2593707999999)
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
C26H43O10P (546.2593707999999)
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
C26H43O10P (546.2593707999999)
PG(20:4)
C26H43O10P (546.2593707999999)
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