Exact Mass: 603.1374870000001
Exact Mass Matches: 603.1374870000001
Found 22 metabolites which its exact mass value is equals to given mass value 603.1374870000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(Z)-3-imidazo[4,5-b]pyridin-1-yl-3-phenylprop-2-enoyl]oxycyclohexane-1-carboxylic acid
5-Carboxypyranocyanidin 3-O-(6'-O-malonyl-beta-glucopyranoside)
5-carboxypyranocyanidin 3-o-(6-o-malonyl-beta-glucopyranoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. 5-carboxypyranocyanidin 3-o-(6-o-malonyl-beta-glucopyranoside) is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 5-carboxypyranocyanidin 3-o-(6-o-malonyl-beta-glucopyranoside) can be found in garden onion, which makes 5-carboxypyranocyanidin 3-o-(6-o-malonyl-beta-glucopyranoside) a potential biomarker for the consumption of this food product.
5-Carboxypyranocyanidin 3-O-(6-O-malonyl-beta-glucopyranoside)
SSR126768
CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9674; ORIGINAL_PRECURSOR_SCAN_NO 9672 CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9690; ORIGINAL_PRECURSOR_SCAN_NO 9685 CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9723; ORIGINAL_PRECURSOR_SCAN_NO 9721 CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9735; ORIGINAL_PRECURSOR_SCAN_NO 9730 CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9704; ORIGINAL_PRECURSOR_SCAN_NO 9702 CONFIDENCE standard compound; INTERNAL_ID 223; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9749; ORIGINAL_PRECURSOR_SCAN_NO 9744
5-Carboxypyranocyanidin 3-O-(6-O-malonyl-beta-glucopyranoside)
Petesicatib
C25H23F6N5O4S (603.1374870000001)
D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Atogepant
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CD - Calcitonin gene-related peptide (cgrp) antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
Tropifexor
C26170 - Protective Agent > C2081 - Hepatoprotective Agent C78276 - Agent Affecting Digestive System or Metabolism
1-[2-[4-[(4-Methoxyphenyl)-oxomethoxy]phenyl]ethyl]-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-5-benzimidazolecarboxylic acid
C32H24F3N3O6 (603.1617120000001)
3-chloro-2-[(3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-ethyl-N-(pyridin-3-ylmethyl)benzamide
5-Carboxypyranocyanidin 3-O-(6-O-malonyl-beta-glucopyranoside
1-[[2-(4-chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-imidazo[4,5-b]pyridin-1-yl-3-phenylprop-2-enoyl]oxycyclohexane-1-carboxylic acid
3alpha,17alpha-dihydroxy-5beta-androstane-11-one-17beta-carboxylate 3-O-(3-sulfo-beta-D-glucuronate)
2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-naphthalen-1-ylacetamide
OSMI-4
C27H26ClN3O7S2 (603.0900636000001)
OSMI-4 is a low nanomolar O-GlcNAc transferase (OGT) inhibitor, with an EC50 of 3 μM in cells.
3-carboxy-6-{[(2r,3r,4s,5s,6s)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-(3,4-dihydroxyphenyl)-11-hydroxy-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium
5-carboxypyranocyanidin-3-o-(6''-o-malonyl-β-glucopyranoside)
{"Ingredient_id": "HBIN011489","Ingredient_name": "5-carboxypyranocyanidin-3-o-(6''-o-malonyl-\u03b2-glucopyranoside)","Alias": "NA","Ingredient_formula": "C27H23O16+","Ingredient_Smile": "C1=CC(=C(C=C1C2=[O+]C3=CC(=CC4=C3C(=C2OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)C=C(O4)C(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3183","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}