Exact Mass: 422.2702
Exact Mass Matches: 422.2702
Found 137 metabolites which its exact mass value is equals to given mass value 422.2702,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Lovastatin acid
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent A polyketide obtained by hydrolysis of the pyranone ring of lovastatin. C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor
DHAP(O-18:0)
DHAP(O-18:0) is the octadecanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octadecanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. 1-Octadecyl-glycerone-3-phosphate is an intermediate in Ether lipid metabolism. DHAP(O-18:0) or 1-Octadecyl-glycerone-3-phosphate is converted from 1-Octadecanoyl-glycerone-3-phosphate via alkylglycerone phosphate synthase (EC: 2.5.1.26). Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. Ether lipids are called plasmalogens (1-O-1-alkenyl-2-acylglycerophospholipids) if these are glycerol-containing phospholipids with an unsaturated O-(1-alkenyl) (vinyl ether) group at the first position on the glycerol chain. Plasmalogens as well as some 1-O-alkyl lipids are ubiquitous and sometimes major parts of the cell membranes in mammals and anaerobic bacteria. In archaea, ether lipids are the major polar lipids in the cell envelope and their abundance is one of the major characteristics that separate this group of prokaryotes from the bacteria. In these cells, diphytanylglycerolipids or bipolar macrocyclic tetraethers can form covalently linked bilayers. (Wikipedia). DHAP(18:0e) is the octadecanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octadecanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. 1-Octadecyl-glycerone-3-phosphate is an intermediate in Ether lipid metabolism. DHAP(18:0e) or 1-Octadecyl-glycerone-3-phosphate is converted from 1-Octadecanoyl-glycerone-3-phosphate via alkylglycerone phosphate synthase (EC: 2.5.1.26). Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. Ether lipids are called plasmalogens (1-O-1-alkenyl-2-acylglycerophospholipids) if these are glycerol-containing phospholipids with an unsaturated O-(1-alkenyl) (vinyl ether) group at the first position on the glycerol chain. Plasmalogens as well as some 1-O-alkyl lipids are ubiquitous and sometimes major parts of the cell membranes in mammals and anaerobic bacteria. In archaea, ether lipids are the major polar lipids in the cell envelope and their abundance is one of the major characteristics that separate this group of prokaryotes from the bacteria. In these cells, diphytanylglycerolipids or bipolar macrocyclic tetraethers can form covalently linked bilayers. [HMDB]
Lovastatin acid
Monoketocholic acid
3-((((-Oxoheptyl)amino)acetyl)amino)methyl-7-oxobicyclo(2.2.1)hept-2-yl-5-heptenoic acid
Cyclohexanecarboxamide, n-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-n-2-pyridinyl-
(2R)-1-acetoxy-6-(2-acetoxytridecyl)-2-methoxy-4-hydroxybenzene
(2S,3R,16R)-13beta-kaurane-2,3,16,17-tetrol 2,3-diacetate|(2S,3R,16R)-phyllocladane-2,3,16,17-tetrol 2,3-diacetate
15,16-dihydroxy-2alpha-succinyloxy-labda-3,13-diene
4-carbamoyl-2-[(9Z,12Z)-(15,16-epoxy)octadeca-9,12-dienoylamino]butyric acid
7beta,15-dihydroxy-17-succinyloxy-ent-leroda-3,13E-diene
10R,18-diacetoxy-3S,4S;7S,8S-diepoxydolabellane (barbilycopodin)|Barbilycopodin
(1R*,2S*,4R*,5S*)-4-(acetyloxy)-2-[3-(acetyloxy)-1,5-dimethyl-4-hexenyl]-5-methylcyclohexyl (Z)-2-methyl-2-butenoate|(1R*,2S*,4R*,5S*)-4-(acetyloxy)-2-[3-(acetyloxy)-1,5-dimethylhex-4-enyl]-5-methylcyclohexyl (2Z)-2-methylbut-2-enoate|(1R*,3S*,4R*,6S*)-4,9-bis(acetyloxy)-1-{[(2Z)-2-methylbut-2-enoyl]oxy}bisabol-10(11)-ene|(1R*,3S*,4R*,6S*)-9-(Acetoxy)-4-acetoxy-1-[(2Z)-2-methylbut-2-enoyloxy]bisabol-10(11)-ene
12beta-O-acetyl-15alpha,17beta,28-trihydoxy-3-oxo-20,21,22,23,24,25,26,27-octanordammanran
3,3-dimethylundecan-2-yl 4-acetyl-6-hydroxy-2,3-dimethoxybenzoate|asiatoate B
15,17-dihydroxy-7beta-succinyloxy-ent-cleroda-3,13E-diene
rel-(4R,4aR,5R,6R,9S,10S,12R,12aR)-3,4,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1,6,10-trimethyl-4-(1-methylethyl)-5,12-epoxybenzocyclodecene-6,9,10-triol 6,9-diacetate|sibogin A
15,19-diacetoxy-2alpha,7alpha-dihydroxylabda-8(17),(13Z)-diene
3,19-Di-Ac-(3beta,15xi)-5-Rosene-3,15,16,19-tetrol|3beta,19-diacetoxy jesromotetrol
(1R,2E,4S,5R,6S,7E,10S,11S,12R)-5,6-diacetoxy-10,18-dihydroxy-2,7-dolabelladiene|5,6-Di-Ac-(2E,4betaH,5beta,6beta,7E,10alpha)-2,7-Dolabelladiene-5,6,10,18-tetrol
7-Acetoxy-4-hydroxy-3-oxo-4(3鈥樏傗垎2)-abeo-13-clerodaen-15-oic acid methyl ester
2,7-Di-Ac-5-Isopimarene-2alpha,3??,7beta,8beta-tetrol|2alpha,7beta-diacetoxy-15-isopimarene-3beta,8beta-diol
methyl (2R)-6-(2-acetoxytridecyl)-2-hydroxy-4-methoxybenzoate
(2R)-6-(2-acetoxypentadecyl)-5-hydroxy-2-methoxy-1,4-benzoquinone
1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-?,?-dihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, methyl ester_120185
C24H38O6_7-{2,6-Dimethyl-8-[(2-methylbutanoyl)oxy]-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoic acid
7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Lovastatin hydroxy acid observed in lovastatin standard
7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid_major
7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid_86.6\\%
Lovastatin acid (Mevinolinic acid)
2-hydroxy-5-methoxy-3-(2R-acetoxy-pentadecyl)-1,4-benzoquinone
(2R,3R)-2,3-bis[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,4-dioxaspiro[4.5]decane
WAY-100635
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists WAY-100635 is a potent and selective 5-HT1A Receptor antagonist with a pIC50 of 8.87, an apparent pA2 of 9.71. WAY-100635 is a potent and selective 5-hydroxytryptamine 1A (5-HT1A) receptor antagonist with an IC50 value of 0.91 nM and Ki value of 0.39 nM. WAY-100635 has pIC50 values for 5-HT1A and α1-adrenergic receptors of 8.9 and 6.6, respectively. WAY-100635 is also a potent dopamine D4 receptor agonist[1][2][3].
S-[11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl] ethanethioate
(S)-N-(4-Dodecylphenylsulfonyl)pyrrolidine-2-carboxamide
2-Pyridinecarboxamide, 6-[hexahydro-4-[1-(1-methylethyl)-4-piperidinyl]-1h-1,4-diazepin-1-yl]-n-4-pyridinyl-
C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist > C107589 - CXCR4 Inhibitor
7-[2,6-Dimethyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(3E,5E,7E,10R,12R,13E,16R,17R,18S,22S)-22-ethyl-10,12,16,18-tetrahydroxy-17-methyl-1-oxacyclodocosa-3,5,7,13-tetraen-2-one
(E)-7-[3-[[[2-(heptanoylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Tritoniopsin C, rel-
A natural product found in Tritoniopsis elegans and Cladiella krempfi.
1-Oleyl-sn-glycero-3-phosphate
A 1-alkyl-sn-glycerol 3-phosphate in which the alkyl group is specified as oleyl.
methyl (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S)-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate
1-Octadecylglycerone 3-phosphate
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as octadecyl.
3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid
3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-cholan-24-oic Acid
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid
2beta,7alpha,12alpha-Trihydroxy-3-oxo-5beta-cholan-24-oic Acid
3alpha,7alpha,11alpha-Trihydroxy-12-oxo-5beta-cholan-24-oic Acid
1-(1Z-octadecenyl)-sn-glycero-3-phosphate
A 1-(alk-1-enyl)-sn-glycero-3-phosphate in which the alkenyl group is specified as 1Z-octadecenyl.
(3r,4as,5s,6r,6as,8s,10as,10br)-8-(acetyloxy)-3-ethenyl-5-hydroxy-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-6-yl acetate
[2-(acetyloxy)-7-(1,2-dihydroxyethyl)-1,4b,7-trimethyl-3,4,4a,5,6,8,8a,9-octahydro-2h-phenanthren-1-yl]methyl acetate
5-[3,6-bis(acetyloxy)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid
(2s)-2-{[(9z,12z,15z,17r)-1,17-dihydroxyoctadeca-9,12,15-trien-1-ylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid
(2z,5e)-2-[(4z)-6-(acetyloxy)-4-methylhex-4-en-1-ylidene]-10-hydroxy-6,10-dimethyl-9-oxoundec-5-en-1-yl acetate
4-{[(2s,3r,4r,4ar,8ar)-4-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-3-(hydroxymethyl)-4,8,8a-trimethyl-1,2,3,4a,5,6-hexahydronaphthalen-2-yl]oxy}-4-oxobutanoic acid
(1r,2s,4r,5s)-4-(acetyloxy)-2-[(2r,4r)-4-(acetyloxy)-6-methylhept-5-en-2-yl]-5-methylcyclohexyl (2z)-2-methylbut-2-enoate
(3s)-5-[(1r,3r,4ar,6s,8as)-3,6-bis(acetyloxy)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid
(3r,5r)-7-[(1s,2s,6r,8s,8ar)-2,6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(2r)-1-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecan-2-yl acetate
2-[6-(acetyloxy)-4-methylhex-4-en-1-ylidene]-10-hydroxy-6,10-dimethyl-9-oxoundec-5-en-1-yl acetate
(2r,3r,4as,4bs,7s,8ar,9s,10ar)-3-(acetyloxy)-7-ethenyl-2,8a-dihydroxy-1,1,4a,7-tetramethyl-decahydrophenanthren-9-yl acetate
(1r,3ar,6r,7r,8r,12s,12as)-8-(acetyloxy)-12-hydroxy-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-7-yl acetate
7-acetoxy-4-hydroxy-3-oxo-4(3→2)-abeo-13-clerodaen-15-oicacid methyl ester
{"Ingredient_id": "HBIN013018","Ingredient_name": "7-acetoxy-4-hydroxy-3-oxo-4(3\u21922)-abeo-13-clerodaen-15-oicacid methyl ester","Alias": "NA","Ingredient_formula": "C24H38O6","Ingredient_Smile": "CC1C(CC2(C(C1(C)CCC(=CC(=O)OC)C)CC(C2(C)O)C(=O)C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "232","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
