Exact Mass: 436.2031822
Exact Mass Matches: 436.2031822
Found 323 metabolites which its exact mass value is equals to given mass value 436.2031822
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
((4-(4-Amidinophenoxy)butanoyl)aspartyl)valine
APD 791
8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroperoxycostic acid methyl ester
[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] (Z)-4-acetyloxy-2-methylbut-2-enoate
(11alpha,13S,16alpha)-13-acetoxy-11,16-dihydroxy-2-methoxypicras-2-ene-1,12-dione|picraqualide A
(12R,20S)-19-acetoxy-12,20;15,16-diepoxy-20-methoxy-neo-cleroda-3,13(16),14-trien-6beta,7alpha,18-triol
(2alpha,3beta,5beta,11alpha,14beta)-form-2,3,5,11,14-Pentahydroxy-12-oxocard-20(22)-enolide
(20R)-1alpha-acetoxy-6beta,7beta,14beta-trihydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one|isoadenolin H
(3R,4R,6R,7S,8S,10R)-1-oxo-3-methoxy-8-angeloyloxy-10-acetoxygermacra-11(13)-en-12,6-olide|rufesolide C
20(S*)-15alpha-acetoxy-6beta,11alpha-dihydroxy-20-methoxy-6,20alpha-epoxy-6,7-seco-1alpha,7-olide-ent-kaur-16-ene|isorosthin D
3-(3-hydroxy-3-methyl-1-butenyl)-5-(3-methyl-2-butenyl)-4-O-alpha-L-arabinose-methyl-17-benzoate|liparisglycoside B
4-hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid-O-beta-D-glucopyranoside
ent-6,7:8,15-diseco-6,8-cyclokauran-7,20-olide|hikiokoshin B
17-acetoxy-1-acetyl-22-nor-ajmal-19-ene-16-carboxylic acid methyl ester|Quebrachidindiacetat
(1(10)E,4Z)-8beta-(angeloyloxy)-9alpha-ethoxy-6alpha,15-dihydroxy-13-methoxy-14-oxogermacra-1(10),4-dien-12-oic acid 12,6-lactone|(2Z)-2-methylbut-2-enoic acid (3S,3aS,4S,5S,6E,10Z,11aR)-5-ethoxy-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-(methoxyethyl)-2-oxocyclodeca[b]furan-4-yl ester
[6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate
C18H32N2O10 (436.20568520000006)
C23H32O8_Propanoic acid, 2-methyl-, [(4S)-4-(acetyloxy)-5-[4-(acetyloxy)-1-methylbutyl]-2,3,3a,4,7,7a-hexahydro-3-methylene-2-oxo-6-benzofuranyl]methyl ester
[6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate [IIN-based on: CCMSLIB00000845461]
C18H32N2O10 (436.20568520000006)
[6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate [IIN-based: Match]
C18H32N2O10 (436.20568520000006)
Ala Ala Glu Phe
Ala Ala Phe Glu
Ala Glu Ala Phe
Ala Glu Phe Ala
Ala Phe Ala Glu
Ala Phe Glu Ala
Ala Pro Ser Tyr
Ala Pro Tyr Ser
Ala Ser Pro Tyr
Ala Ser Tyr Pro
Ala Tyr Pro Ser
Ala Tyr Ser Pro
Cys Ile Thr Thr
C17H32N4O7S (436.19916020000005)
Cys Leu Thr Thr
C17H32N4O7S (436.19916020000005)
Cys Thr Ile Thr
C17H32N4O7S (436.19916020000005)
Cys Thr Leu Thr
C17H32N4O7S (436.19916020000005)
Cys Thr Thr Ile
C17H32N4O7S (436.19916020000005)
Cys Thr Thr Leu
C17H32N4O7S (436.19916020000005)
Asp Phe Gly Val
Asp Phe Val Gly
Asp Gly Phe Val
Asp Gly Val Phe
Asp Val Phe Gly
Asp Val Gly Phe
Glu Ala Ala Phe
Glu Ala Phe Ala
Glu Phe Ala Ala
Phe Ala Ala Glu
Phe Ala Glu Ala
Phe Asp Gly Val
Phe Asp Val Gly
Phe Glu Ala Ala
Phe Gly Asp Val
Phe Gly Val Asp
Phe Pro Ser Ser
Phe Ser Pro Ser
Phe Ser Ser Pro
Phe Val Asp Gly
Phe Val Gly Asp
Gly Asp Phe Val
Gly Asp Val Phe
Gly Phe Asp Val
Gly Phe Val Asp
Gly Pro Thr Tyr
Gly Pro Tyr Thr
Gly Thr Pro Tyr
Gly Thr Tyr Pro
Gly Val Asp Phe
Gly Val Phe Asp
Gly Tyr Pro Thr
Gly Tyr Thr Pro
His Pro Pro Ser
His Pro Ser Pro
His Ser Pro Pro
Ile Cys Thr Thr
C17H32N4O7S (436.19916020000005)
Ile Met Ser Ser
C17H32N4O7S (436.19916020000005)
Ile Ser Met Ser
C17H32N4O7S (436.19916020000005)
Ile Ser Ser Met
C17H32N4O7S (436.19916020000005)
Ile Thr Cys Thr
C17H32N4O7S (436.19916020000005)
Ile Thr Thr Cys
C17H32N4O7S (436.19916020000005)
Leu Cys Thr Thr
C17H32N4O7S (436.19916020000005)
Leu Met Ser Ser
C17H32N4O7S (436.19916020000005)
Leu Ser Met Ser
C17H32N4O7S (436.19916020000005)
Leu Ser Ser Met
C17H32N4O7S (436.19916020000005)
Leu Thr Cys Thr
C17H32N4O7S (436.19916020000005)
Leu Thr Thr Cys
C17H32N4O7S (436.19916020000005)
Met Ile Ser Ser
C17H32N4O7S (436.19916020000005)
Met Leu Ser Ser
C17H32N4O7S (436.19916020000005)
Met Ser Ile Ser
C17H32N4O7S (436.19916020000005)
Met Ser Leu Ser
C17H32N4O7S (436.19916020000005)
Met Ser Ser Ile
C17H32N4O7S (436.19916020000005)
Met Ser Ser Leu
C17H32N4O7S (436.19916020000005)
Met Ser Thr Val
C17H32N4O7S (436.19916020000005)
Met Ser Val Thr
C17H32N4O7S (436.19916020000005)
Met Thr Ser Val
C17H32N4O7S (436.19916020000005)
Met Thr Val Ser
C17H32N4O7S (436.19916020000005)
Met Val Ser Thr
C17H32N4O7S (436.19916020000005)
Met Val Thr Ser
C17H32N4O7S (436.19916020000005)
Pro Ala Ser Tyr
Pro Ala Tyr Ser
Pro Phe Ser Ser
Pro Gly Thr Tyr
Pro Gly Tyr Thr
Pro His Pro Ser
Pro His Ser Pro
Pro Pro His Ser
Pro Pro Ser His
Pro Ser Ala Tyr
Pro Ser Phe Ser
Pro Ser His Pro
Pro Ser Pro His
Pro Ser Ser Phe
Pro Ser Tyr Ala
Pro Thr Gly Tyr
Pro Thr Tyr Gly
Pro Tyr Ala Ser
Pro Tyr Gly Thr
Pro Tyr Ser Ala
Pro Tyr Thr Gly
Ser Ala Pro Tyr
Ser Ala Tyr Pro
Ser Phe Pro Ser
Ser Phe Ser Pro
Ser His Pro Pro
Ser Ile Met Ser
C17H32N4O7S (436.19916020000005)
Ser Ile Ser Met
C17H32N4O7S (436.19916020000005)
Ser Leu Met Ser
C17H32N4O7S (436.19916020000005)
Ser Leu Ser Met
C17H32N4O7S (436.19916020000005)
Ser Met Ile Ser
C17H32N4O7S (436.19916020000005)
Ser Met Leu Ser
C17H32N4O7S (436.19916020000005)
Ser Met Ser Ile
C17H32N4O7S (436.19916020000005)
Ser Met Ser Leu
C17H32N4O7S (436.19916020000005)
Ser Met Thr Val
C17H32N4O7S (436.19916020000005)
Ser Met Val Thr
C17H32N4O7S (436.19916020000005)
Ser Pro Ala Tyr
Ser Pro Phe Ser
Ser Pro His Pro
Ser Pro Pro His
Ser Pro Ser Phe
Ser Pro Tyr Ala
Ser Ser Phe Pro
Ser Ser Ile Met
C17H32N4O7S (436.19916020000005)
Ser Ser Leu Met
C17H32N4O7S (436.19916020000005)
Ser Ser Met Ile
C17H32N4O7S (436.19916020000005)
Ser Ser Met Leu
C17H32N4O7S (436.19916020000005)
Ser Ser Pro Phe
Ser Thr Met Val
C17H32N4O7S (436.19916020000005)
Ser Thr Val Met
C17H32N4O7S (436.19916020000005)
Ser Val Met Thr
C17H32N4O7S (436.19916020000005)
Ser Val Thr Met
C17H32N4O7S (436.19916020000005)
Ser Tyr Ala Pro
Ser Tyr Pro Ala
Thr Cys Ile Thr
C17H32N4O7S (436.19916020000005)
Thr Cys Leu Thr
C17H32N4O7S (436.19916020000005)
Thr Cys Thr Ile
C17H32N4O7S (436.19916020000005)
Thr Cys Thr Leu
C17H32N4O7S (436.19916020000005)
Thr Gly Pro Tyr
Thr Gly Tyr Pro
Thr Ile Cys Thr
C17H32N4O7S (436.19916020000005)
Thr Ile Thr Cys
C17H32N4O7S (436.19916020000005)
Thr Leu Cys Thr
C17H32N4O7S (436.19916020000005)
Thr Leu Thr Cys
C17H32N4O7S (436.19916020000005)
Thr Met Ser Val
C17H32N4O7S (436.19916020000005)
Thr Met Val Ser
C17H32N4O7S (436.19916020000005)
Thr Pro Gly Tyr
Thr Pro Tyr Gly
Thr Ser Met Val
C17H32N4O7S (436.19916020000005)
Thr Ser Val Met
C17H32N4O7S (436.19916020000005)
Thr Thr Cys Ile
C17H32N4O7S (436.19916020000005)
Thr Thr Cys Leu
C17H32N4O7S (436.19916020000005)
Thr Thr Ile Cys
C17H32N4O7S (436.19916020000005)
Thr Thr Leu Cys
C17H32N4O7S (436.19916020000005)
Thr Val Met Ser
C17H32N4O7S (436.19916020000005)
Thr Val Ser Met
C17H32N4O7S (436.19916020000005)
Thr Tyr Gly Pro
Thr Tyr Pro Gly
Val Asp Phe Gly
Val Asp Gly Phe
Val Phe Asp Gly
Val Phe Gly Asp
Val Gly Asp Phe
Val Gly Phe Asp
Val Met Ser Thr
C17H32N4O7S (436.19916020000005)
Val Met Thr Ser
C17H32N4O7S (436.19916020000005)
Val Ser Met Thr
C17H32N4O7S (436.19916020000005)
Val Ser Thr Met
C17H32N4O7S (436.19916020000005)
Val Thr Met Ser
C17H32N4O7S (436.19916020000005)
Val Thr Ser Met
C17H32N4O7S (436.19916020000005)
Tyr Ala Pro Ser
Tyr Ala Ser Pro
Tyr Gly Pro Thr
Tyr Gly Thr Pro
Tyr Pro Ala Ser
Tyr Pro Gly Thr
Tyr Pro Ser Ala
Tyr Pro Thr Gly
Tyr Ser Ala Pro
Tyr Ser Pro Ala
Tyr Thr Gly Pro
Tyr Thr Pro Gly
21-dimethylarsinoyl (7Z, 10Z,13Z,16Z,19Z)-heneicosapentaenoic acid
Estropipate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents Estropipate is a form of estrogen, used to treat symptoms of menopause, also used to prevent osteoporosis.
tert-Butyl 2-((3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yl)oxy)acetate
4-[4-[5-[(Acetylamino)methyl]-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester
TEMANOGREL
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Temanogrel is a highly selective 5-HT2A receptor antagonist with a Ki of 4.9 nM.
Methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)piperidine-4-carboxylate
1-[4-(2-Hydroxy-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}propoxy)phenyl]-1-propanone
C23H27F3N2O3 (436.19736680000005)
tert-butyl N-[4-[(3-cyanophenyl)carbamoylamino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]carbamate
N-[3-(4-morpholinyl)propyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
[4-(3-Methoxyphenyl)-1-piperazinyl]-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]methanone
2-[[3-(2,6-dimethyl-4-morpholinyl)-2-quinoxalinyl]thio]-N-(2-phenylethyl)acetamide
1-[2,5-Dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone
2-(2,5-dioxo-1-spiro[3,4-dihydro-2H-1-benzopyran-4,4-imidazolidine]yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
[6-(2-Formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate
C18H32N2O10 (436.20568520000006)
2-(2-Methylphenoxy)-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]ethanone
1-[2-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
1-[2-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
1-[2-[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
1-[2-[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
1-[2-[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
1-[2-[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide
1-[2-[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone
(2E)-6-Hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one
(3S)-7-chloro-N-methyl-1-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4-piperidine]-3-carboxamide
21-dimethylarsinoyl-(7Z, 10Z,13Z,16Z,19Z)-heneicosapentaenoic acid
(1R)-IDH889
C23H25FN6O2 (436.20229219999993)
(1R)-IDH889 is the isomer of IDH889 (HY-112289), and can be used as an experimental control. IDH889 is an orally available, brain penetrant, allosteric and mutant specific inhibitor of isocitrate dehydrogenase 1 (IDH1). IDH889 has potent selectivity for IDH1 R132* mutations, with IC50s of 0.02 μM, 0.072 μM and 1.38 μM for IDH1R132H, IDH1R132C and IDH1wt, respectively. IDH889 shows potent cellular inhibition of R-2-hydroxyglutarate (2-HG) production with an IC50 of 0.014 μM[1].
IDH889
C23H25FN6O2 (436.20229219999993)
IDH889 is an orally available, brain penetrant, allosteric and mutant specific inhibitor of isocitrate dehydrogenase 1 (IDH1). IDH889 has potent selectivity for IDH1 R132* mutations, with IC50s of 0.02 μM, 0.072 μM and 1.38 μM for IDH1R132H, IDH1R132C and IDH1wt, respectively. IDH889 shows potent cellular inhibition of R-2-hydroxyglutarate (2-HG) production with an IC50 of 0.014 μM[1].
(1s,4r,8r,9r,11s,12r,13s,14s,16r,18r)-9,14-dihydroxy-11-methoxy-7,7-dimethyl-17-methylidene-2-oxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-18-yl acetate
(3as,4s,6r,9r,10r,11ar)-6-(acetyloxy)-9-methoxy-6,10-dimethyl-3-methylidene-2,7-dioxo-octahydrocyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
(1's,2r,2's,5'r,5''r,5'''s,6's,7's)-5'''-methoxy-7'-methyl-8'-oxotrispiro[oxirane-2,3'-[9]oxatricyclo[5.3.3.0¹,⁶]tridecane-2',2'':5'',3'''-bis(oxolane)]-5'-yl acetate
8-hydroxy-3,8-dimethyl-12-methylidene-9-(2-methylpropoxy)-7,13-dioxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradecan-10-yl but-2-enoate
15α-methoxyfaciculatin b
{"Ingredient_id": "HBIN001621","Ingredient_name": "15\u03b1-methoxyfaciculatin b","Alias": "NA","Ingredient_formula": "C23H32O8","Ingredient_Smile": "CC(=O)OC1CC2(CO2)C3(CCC4(O3)CC(OC4)OC)C56C1C(CCC5)(C(=O)OC6)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13920","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}