Exact Mass: 631.2318388000001

Exact Mass Matches: 631.2318388000001

Found 56 metabolites which its exact mass value is equals to given mass value 631.2318388000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

tricaffeoyl spermidine

N1,N5,N10-tricaffeoyl spermidine

C34H37N3O9 (631.2529672000001)


   

Efonidipine

5-(5,5-Dimethyl-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid, 2-(phenyl(phenylmethyl)amino) ethyl ester, p-oxide, hydrochloride

C34H38N3O7P (631.2447248)


C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D000077264 - Calcium-Regulating Hormones and Agents D045283 - Natriuretic Agents > D004232 - Diuretics D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

Elagolix

4-({2-[5-(2-fluoro-3-methoxyphenyl)-3-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl]-1-phenylethyl}amino)butanoic acid

C32H30F5N3O5 (631.2105509999999)


   

tricaffeoyl spermidine

3-(3,4-Dihydroxyphenyl)-N-{3-[3-(3,4-dihydroxyphenyl)-N-(4-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidate

C34H37N3O9 (631.2529672000001)


Tricaffeoyl spermidine belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Tricaffeoyl spermidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tricaffeoyl spermidine can be found in a number of food items such as black radish, breadfruit, persimmon, and jicama, which makes tricaffeoyl spermidine a potential biomarker for the consumption of these food products.

   

Elagolix Sodium

4-{[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl]-1-phenylethyl]amino}butanoic acid

C32H30F5N3O5 (631.2105509999999)


   

rhopeptin A

rhopeptin A

C33H37N5O8 (631.2642002)


   

1beta,7beta,11-triacetoxy-4alpha-hydroxy-5alpha-nicotinoyl-8-alpha-tiglyloxydihydroagarofuran|triptersinine L

1beta,7beta,11-triacetoxy-4alpha-hydroxy-5alpha-nicotinoyl-8-alpha-tiglyloxydihydroagarofuran|triptersinine L

C32H41NO12 (631.2628626000001)


   

Asp Glu Leu Asn Gln

Asp Glu Leu Asn Gln

C25H41N7O12 (631.2813066000001)


   

Met Ser Phe Thr Phe

Met Ser Phe Thr Phe

C30H41N5O8S (631.2675706000001)


   

C27H37NO16

NCGC00385011-01_C27H37NO16_

C27H37NO16 (631.2112242000001)


   

Met Arg Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H41N7O7S (631.2788036000001)


   

Met Tyr Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H41N7O7S (631.2788036000001)


   

Met Tyr Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C29H41N7O7S (631.2788036000001)


   

Arg Met Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H41N7O7S (631.2788036000001)


   

Arg Tyr Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H41N7O7S (631.2788036000001)


   

Arg Tyr Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C29H41N7O7S (631.2788036000001)


   

Thr Trp Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H37N5O8 (631.2642002)


   

Thr Tyr Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H37N5O8 (631.2642002)


   

Thr Tyr Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C33H37N5O8 (631.2642002)


   

Trp Thr Tyr Tyr

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H37N5O8 (631.2642002)


   

Trp Tyr Thr Tyr

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H37N5O8 (631.2642002)


   

Trp Tyr Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C33H37N5O8 (631.2642002)


   

Tyr Met Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H41N7O7S (631.2788036000001)


   

Tyr Met Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C29H41N7O7S (631.2788036000001)


   

Tyr Arg Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H41N7O7S (631.2788036000001)


   

Tyr Arg Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C29H41N7O7S (631.2788036000001)


   

Tyr Thr Trp Tyr

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H37N5O8 (631.2642002)


   

Tyr Thr Tyr Trp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C33H37N5O8 (631.2642002)


   

Tyr Trp Thr Tyr

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H37N5O8 (631.2642002)


   

Tyr Trp Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C33H37N5O8 (631.2642002)


   

Tyr Tyr Met Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanoic acid

C29H41N7O7S (631.2788036000001)


   

Tyr Tyr Arg Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoic acid

C29H41N7O7S (631.2788036000001)


   

Tyr Tyr Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C33H37N5O8 (631.2642002)


   

Tyr Tyr Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C33H37N5O8 (631.2642002)


   

MSFTF

Met Ser Phe Thr Phe

C30H41N5O8S (631.2675706000001)


   

5(6)-CARBOXY-X-RHODAMINE-N-HYDROXYSUCCINIMIDE ESTER

5(6)-CARBOXY-X-RHODAMINE-N-HYDROXYSUCCINIMIDE ESTER

C37H33N3O7 (631.2318388000001)


   

ROX-SE

ROX-SE

C37H33N3O7 (631.2318388000001)


   

6-Carboxy-X-rhodamine succinimidyl ester,6-ROX, SE

6-Carboxy-X-rhodamine succinimidyl ester,6-ROX, SE

C37H33N3O7 (631.2318388000001)


   

elagolix

elagolix

C32H30F5N3O5 (631.2105509999999)


H - Systemic hormonal preparations, excl. sex hormones and insulins > H01 - Pituitary and hypothalamic hormones and analogues > H01C - Hypothalamic hormones > H01CC - Anti-gonadotropin-releasing hormones C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2092 - Gonadotropin Releasing Hormone Antagonist C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

   

Efonidipine, (-)-

Efonidipine, (-)-

C34H38N3O7P (631.2447248)


   

Efonidipine, (+)-

Efonidipine, (+)-

C34H38N3O7P (631.2447248)


   

3-(7-Benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1L6-[1,2,7]thiadiazepan-2-ylmethyl)-N-methyl-benzamide

3-(7-Benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1L6-[1,2,7]thiadiazepan-2-ylmethyl)-N-methyl-benzamide

C34H37N3O7S (631.2352092000001)


   

Thiethylperazine Maleate

2-Ethylmercapto-10-(3-(1-methyl-4-piperazinyl)propyl)phenothiazine dimaleate

C30H37N3O8S2 (631.2021962000001)


D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Thiethylperazine dimaleate, a phenothiazine derivate, is an orally active and potent dopamine D2-receptor and histamine H1-receptor antagonist. Thiethylperazine dimaleate is also a selective ABCC1activator that reduces amyloid-β (Aβ) load in mice. Thiethylperazine dimaleate has anti-emetic, antipsychotic and antimicrobial effects[1][2][3].

   

Efonidipine

Efonidipine

C34H38N3O7P (631.2447248)


C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D000077264 - Calcium-Regulating Hormones and Agents D045283 - Natriuretic Agents > D004232 - Diuretics D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

Thiethylperazine dimaleate

2-Ethylmercapto-10-(3-(1-methyl-4-piperazinyl)propyl)phenothiazine dimaleate

C30H37N3O8S2 (631.2021962000001)


D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Thiethylperazine dimaleate, a phenothiazine derivate, is an orally active and potent dopamine D2-receptor and histamine H1-receptor antagonist. Thiethylperazine dimaleate is also a selective ABCC1activator that reduces amyloid-β (Aβ) load in mice. Thiethylperazine dimaleate has anti-emetic, antipsychotic and antimicrobial effects[1][2][3].

   

3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

C31H33F4N5O5 (631.2417696)


   

3-(4-fluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

3-(4-fluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

C31H33F4N5O5 (631.2417696)


   

3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

C31H33F4N5O5 (631.2417696)


   

N1,N5,N10-tricaffeoyl spermidine

N1,N5,N10-tricaffeoyl spermidine

C34H37N3O9 (631.2529672000001)


   

PS 14:1/9:4;O2

PS 14:1/9:4;O2

C29H46NO12P (631.2757486)


   

PS 18:4/5:1;O2

PS 18:4/5:1;O2

C29H46NO12P (631.2757486)


   

PS 23:5;O2

PS 23:5;O2

C29H46NO12P (631.2757486)


   

RGX-104 (hydrochloride)

RGX-104 (hydrochloride)

C34H34Cl2F3NO3 (631.1867709999999)


RGX-104 hydrochloride is a small-molecule LXR agonist that modulates innate immunity via transcriptional activation of the ApoE gene.

   

(2e)-3-(3,4-dihydroxyphenyl)-n-{3-[(2e)-3-(3,4-dihydroxyphenyl)-n-(4-{[(2e)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidic acid

(2e)-3-(3,4-dihydroxyphenyl)-n-{3-[(2e)-3-(3,4-dihydroxyphenyl)-n-(4-{[(2e)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidic acid

C34H37N3O9 (631.2529672000001)


   

4-methylaconitane-1,6,8,10,13,14,15,16,18-nonol; (1α,6α,14α,15α,16β)-form,o6,o16,o18-tri-me,14-benzoyl,8-ac,n-formyl

NA

C32H41NO12 (631.2628626000001)


{"Ingredient_id": "HBIN010680","Ingredient_name": "4-methylaconitane-1,6,8,10,13,14,15,16,18-nonol; (1\u03b1,6\u03b1,14\u03b1,15\u03b1,16\u03b2)-form,o6,o16,o18-tri-me,14-benzoyl,8-ac,n-formyl","Alias": "NA","Ingredient_formula": "C32H41NO12","Ingredient_Smile": "NA","Ingredient_weight": "631.67","OB_score": "NA","CAS_id": "125286-17-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7779","PubChem_id": "NA","DrugBank_id": "NA"}

   

3-(3,4-dihydroxyphenyl)-n-{3-[3-(3,4-dihydroxyphenyl)-n-(4-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidic acid

3-(3,4-dihydroxyphenyl)-n-{3-[3-(3,4-dihydroxyphenyl)-n-(4-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidic acid

C34H37N3O9 (631.2529672000001)