Exact Mass: 244.153533
Exact Mass Matches: 244.153533
Found 500 metabolites which its exact mass value is equals to given mass value 244.153533,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Anagyrine
Anagyrine is an alkaloid. Anagyrine is a natural product found in Daphniphyllum oldhamii, Ormosia fordiana, and other organisms with data available. Thermospine is a natural product found in Platycelyphium voense, Thermopsis mongolica, and other organisms with data available. Thermopsine is a quinolizidine alkaloid isolated from the fruits and pods and stem bark of Sophora velutina subsp. Thermopsine has antibacterial activity[1].
Sophoramine
Sophoramine is a naphthyridine derivative. Sophoramine is a natural product found in Sophora viciifolia, Sophora pachycarpa, and other organisms with data available.
Leucyl-leucine
Leucylleucine is a dipeptide composed of two leucine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Leu-Leu-OH, a Leu derivative, is a dipeptide.
6-(6-aminohexanamido)hexanoic acid
C12H24N2O3 (244.17868339999998)
Rhombifoline
Rhombifoline is a natural product found in Plagiocarpus axillaris, Cristonia biloba, and other organisms with data available. Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1]. Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1].
Thermopsine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.155 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.144 Thermopsine is a quinolizidine alkaloid isolated from the fruits and pods and stem bark of Sophora velutina subsp. Thermopsine has antibacterial activity[1].
Isoleucyl-Isoleucine
C12H24N2O3 (244.17868339999998)
Isoleucyl-Isoleucine is a dipeptied compoosed of two isoleucine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Isoleucine
C12H24N2O3 (244.17868339999998)
Leucyl-Isoleucine is a dipeptide composed of leucine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
1,11-Undecanedicarboxylic acid
1,11-Undecanedicarboxylic acid, also known as 1,13-tridecanedioic acid or brassilic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 1,11-Undecanedicarboxylic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Undecanedicarboxylic acid is an unusual odd-numbered dicarboxylic acid that appears in the urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome, as an additional marker of these peroxisomal disorders. (PMID: 2943344) [HMDB] Tridecanedioic acid is an endogenous metabolite.
Hydroxyprolyl-Leucine
Hydroxyprolyl-Leucine is a dipeptide composed of hydroxyproline and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hydroxyprolyl-Isoleucine
Hydroxyprolyl-Isoleucine is a dipeptide composed of hydroxyproline and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Isoleucylhydroxyproline
Isoleucylhydroxyproline is a dipeptide composed of isoleucine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Isoleucyl-Leucine
C12H24N2O3 (244.17868339999998)
Isoleucyl-Leucine is a dipeptide composed of isoleucine and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucylhydroxyproline
Leucylhydroxyproline is a dipeptide composed of leucine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Polyethylene, oxidized
Polyethylene, oxidized is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Menthyl ethylene glycol carbonate
Menthyl ethylene glycol carbonate is a physiological cooling agent used in foods. Strong mint flavorant used in chewing gu Physiol. cooling agent used in foods. Strong mint flavorant used in chewing gum
(±)-1,4-Nonanediol diacetate
(±)-1,4-Nonanediol diacetate is a flavouring ingredient. Flavouring ingredient
(1R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
(2R,4S)-1-Tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
(2S)-6-Amino-2-(hexanoylamino)hexanoic Acid
C12H24N2O3 (244.17868339999998)
Leucyl-leucine
C12H24N2O3 (244.17868339999998)
Butanoyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
Veliparib
C13H16N4O (244.13240459999997)
Linderoxide
Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Isolinderoxide
2,4-Diamino-2,3,4,6-tetradeoxy-arabino-hexose,9CI,8CI-Me glycoside, 2,4-di-N-Ac
14-acetoxy-tetradeca-2t,4t,8t,10t-tetraen-6-yne|Ac-4,6,10,12-Tetradecatetraen-8-yn-2-ol,|Tetradecatetra-4,6,10,12-en-8-in-1-ol-acetat
Megastigm-7-ene-3,5,6,9-tetraol
Megastigm-7-ene-3,5,6,9-tetraol is a natural product found in Cestrum parqui with data available.
pandangolide 1
A hexaketide lactone isolated from the sponge-associated fungus Cladosporium sp. It is a diastereoisomer of pandangolide 1a.
Me ether-(2R*,5S*,1E,3E)-form-Tetrahydro-5-(1,3-undecadiene-5,7-diynyl)-2-furanol,
6alpha-Furanoeremophilan-15, 6-olide|Furanoermophilan-14, 6-olide
(1R,2S,4S)-2-(1-Hydroxy-6-methylheptyl)-4-hydroxymethylbutanolide|Dihydro-5-(hydroxymethyl)-3-(1-hydroxy)-2(3H)-furanone
(3S*,4R*,5R*)-3-hydroxymethyl-4-(1-acetoxyisopropyl)-5-isopropenyl-1,2-dioxolane
4alpha-(3-methyl-4-formyloxy-heptyl)-3alpha-methyl-2-oxetanone
(5beta,8alpha,9alpha,10beta)-5,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-oxecin-2-one|stagonolide B
(1S,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.234 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.232
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
C15H20N2O_2H-Pyrido[1,2-a]pyrazin-1(6H)-one, hexahydro-3-(phenylmethyl)-, (3S,9aS)
TRIDECANEDIOIC ACID
An alpha,omega-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11. Tridecanedioic acid is an endogenous metabolite.
(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
Sophoramine
Origin: Plant; SubCategory_DNP: Alkaloids derived from lysine, Quinolizidine alkaloids, Sophora alkaloid
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based: Match]
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based on: CCMSLIB00000848611]
Brassylic acid
CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5003; ORIGINAL_PRECURSOR_SCAN_NO 5002 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5063; ORIGINAL_PRECURSOR_SCAN_NO 5062 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5052; ORIGINAL_PRECURSOR_SCAN_NO 5051 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5103; ORIGINAL_PRECURSOR_SCAN_NO 5099 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5016; ORIGINAL_PRECURSOR_SCAN_NO 5015 Tridecanedioic acid is an endogenous metabolite.
N-Leucyl-leucine; AIF; CE0; CorrDec
C12H24N2O3 (244.17868339999998)
N-Leucyl-leucine; AIF; CE10; CorrDec
C12H24N2O3 (244.17868339999998)
N-Leucyl-leucine; AIF; CE30; CorrDec
C12H24N2O3 (244.17868339999998)
N-Leucyl-leucine; AIF; CE0; MS2Dec
C12H24N2O3 (244.17868339999998)
N-Leucyl-leucine; AIF; CE10; MS2Dec
C12H24N2O3 (244.17868339999998)
N-Leucyl-leucine; AIF; CE30; MS2Dec
C12H24N2O3 (244.17868339999998)
(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one_major
6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid
6-Methoxy-4a-methyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenone
14-METHOXY-4,4-BISNOR-8,11,13-PODOCARPATRIEN-3-ONE
Ile-ile
C12H24N2O3 (244.17868339999998)
A dipeptide formed from two L-isoleucine residues.
Ile-leu
C12H24N2O3 (244.17868339999998)
A dipeptide formed from L-isoleucine and L-leucine residues.
Leu-ile
C12H24N2O3 (244.17868339999998)
A dipeptide formed from L-leucine and L-isoleucine residues.
(6E)-3,8,9-Trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one
2-(3-CYCLOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE
C15H21BO2 (244.16345160000003)
(S)-2-(3-(TERT-BUTYL)-3-METHYLUREIDO)-3,3-DIMETHYLBUTANOIC ACID
C12H24N2O3 (244.17868339999998)
2-ETHYL-5-METHYLPYRAZINE
2-ethyl-5-methylpyrazine, 9ci, 8ci, also known as 2,5-methylethylpyrazine or fema 3154, is a member of the class of compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. 2-ethyl-5-methylpyrazine, 9ci, 8ci is soluble (in water) and a moderately basic compound (based on its pKa). 2-ethyl-5-methylpyrazine, 9ci, 8ci is a sweet, bean, and coffee tasting compound and can be found in a number of food items such as cereals and cereal products, fenugreek, coffee and coffee products, and tea, which makes 2-ethyl-5-methylpyrazine, 9ci, 8ci a potential biomarker for the consumption of these food products.
(S)-1-N-Boc-piperazine-3-carboxylicacid methylester
tert-Butyl 4-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylate
C12H24N2O3 (244.17868339999998)
(2E,4E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpenta-2,4-dienal
Indazole-6-boronic acid pinacol ester
C13H17BN2O2 (244.13830120000003)
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)acetic acid
METHYL (2R,4R)-4-AMINOPYRROLIDINE-2-CARBOXYLATE, N1-BOC PROTECTED
1-(4-Aminophenyl)-3-(1-pyrrolidino)-5-pyrazolone
C13H16N4O (244.13240459999997)
Fenestrel
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
trans-6-Chloro-1-hexen-1-ylboronic acid pinacol ester
C12H22BClO2 (244.14012920000002)
3-Benzyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
4-METHYL-BETA-STYRYLBORONIC ACID PINACOL ESTER
C15H21BO2 (244.16345160000003)
2-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-2-YL)ACETIC ACID
1-BOC-3-(2-METHOXYETHYLAMINO)PYRROLIDINE
C12H24N2O3 (244.17868339999998)
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
C13H17BN2O2 (244.13830120000003)
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
C13H17BN2O2 (244.13830120000003)
Benzofuran-2-boronic acid, pinacol ester
C14H17BO3 (244.12706820000002)
1-BOC-4-AMINOMETHYL-4-METHOXYPIPERIDINE
C12H24N2O3 (244.17868339999998)
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
C13H17BN2O2 (244.13830120000003)
Ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
tert-butyl 3-(Methylsulfanyl)-2,5,6,7-tetrahydro-1H-1,4-diazepin
C11H20N2O2S (244.12454200000002)
6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
C13H17BN2O2 (244.13830120000003)
(4R,5R)-4,5-Di(dimethylaminocarbonyl)-2,2-dimethyldioxolane, 99+\\%
Boronic acid, (6-butoxy-2-naphthalenyl)- (9CI)
C14H17BO3 (244.12706820000002)
2-(benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H17BO3 (244.12706820000002)
(E)-1-(1-(FURAN-2-YL)PROP-1-EN-2-YL)CYCLOPROPANAMINE
2,3-Dihydro-1H-inden-5-boronic acid, pinacol ester
C15H21BO2 (244.16345160000003)
Veliparib
C13H16N4O (244.13240459999997)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Methyl (2R,4R)-1-Boc-4-aminopyrrolidine-2-carboxylate
4,4-Difluorocyclohexene-1-boronic acid pinacol ester
C12H19BF2O2 (244.14460880000001)
Imidazo[1,2-a]pyridine-7-boronic acid pinacol ester
C13H17BN2O2 (244.13830120000003)
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole
C13H17BN2O2 (244.13830120000003)
(2S,4R)-4-(aminomethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
C13H17BN2O2 (244.13830120000003)
1H-Pyrrolo[3,2-B]pyridine-6-boronic acid pinacol ester
C13H17BN2O2 (244.13830120000003)
1-(1H-PYRAZOL-5-YL)ETHAN-1-ONEHYDROCHLORIDE
C12H24N2O3 (244.17868339999998)
8-Azido-6-benzyl-2-oxa-6-azaspiro[3.4]octane
C13H16N4O (244.13240459999997)
2-CYCLOPENTYL-5-HYDROXY-6,7-DIMETHYL-2,3-DIHYDRO-1H-INDEN-1-ONE
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran
C14H17BO3 (244.12706820000002)
7-Azaindole-3-boronic Acid Pinacol Ester
C13H17BN2O2 (244.13830120000003)
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
C13H17BN2O2 (244.13830120000003)
4-PIPERIDINECARBOXAMIDE, 1-(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-
C13H16N4O (244.13240459999997)
2-INDANYLBORONIC ACID PINACOL ESTER
C15H21BO2 (244.16345160000003)
4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane
C15H21BO2 (244.16345160000003)
1,4-Dimethyl-3-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-5-ol
Propanedioic acid,2-(2,2-dimethyl-1-oxopropyl)-, 1,3-diethyl ester
1H-Indazole-7-boronic acid pinacol ester
C13H17BN2O2 (244.13830120000003)
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
C13H17BN2O2 (244.13830120000003)
1-Piperazinecarboxylicacid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester
C12H24N2O3 (244.17868339999998)
(2S,4S)-4-(aminomethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
1H-Indazole-5-boronic Acid Pinacol Ester
C13H17BN2O2 (244.13830120000003)
(2R,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
C11H20N2O2S (244.12454200000002)
1-(1-PHENYL-1,3,4,9-TETRAHYDRO-BETA-CARBOLIN-2-YL)-ETHANONE
2-dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethyl-d6-carbamate
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
C13H17BN2O2 (244.13830120000003)
6-DEOXY-1,2:3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTOPYRANOSIDE
4-(Cyclopropyl)phenylboronic acid pinacol ester
C15H21BO2 (244.16345160000003)
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]furan
C14H17BO3 (244.12706820000002)
1-tert-Butyl 4-methyl piperazine-1,4-dicarboxylate
6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
C13H17BN2O2 (244.13830120000003)
3-(TERT-BUTOXYCARBONYLAMINO)PIPERIDINE-3-CARBOXYLIC ACID
2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
4-Methyl-piperazine-1,2-dicarboxylic acid 1-tert-butyl ester
Benzo[b]furan-3-boronic acid, pinacol ester
C14H17BO3 (244.12706820000002)
N-[2-(1H-Indol-3-yl)ethyl]-2,2-dimethylpropanamide
1-BOC-3-(3-METHOXY-PROPYLAMINO)-AZETIDINE
C12H24N2O3 (244.17868339999998)
1-[trans-4-(5-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine(SALTDATA: FREE)
(2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
(R)-1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
(2S,4R)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE-2-CARBOXYLATE
tert-butyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
C12H24N2O3 (244.17868339999998)
4-(2-hydroxy-propyl)-piperazine-1-carboxylic acid tert-butyl ester
C12H24N2O3 (244.17868339999998)
tert-butyl 3-(thiocarbamoyl)piperidine-1-carboxylate
C11H20N2O2S (244.12454200000002)
1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
C13H17BN2O2 (244.13830120000003)
2-(2-methyl-2-pyrrolidinyl)-1H-benzimidazole-4-carboxamide
C13H16N4O (244.13240459999997)
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
3,4,9-Trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
2-(3-Methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)cyclohexa-2,5-diene-1,4-dione
A natural product found in Sporochnus comosus and Perithalia capillaris.
8-Hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
Leu-leu
C12H24N2O3 (244.17868339999998)
A dipeptide formed from two L-leucine residues. Leu-Leu-OH, a Leu derivative, is a dipeptide.
N-(6-Aminohexanoyl)-6-aminohexanoate
C12H24N2O3 (244.17868339999998)
(3R,4R)-4-(hydroxymethyl)-3-[(1R)-1-hydroxyoctyl]oxolan-2-one
Dihydro-4alpha-(hydroxymethyl)-3beta-[(R)-6-methyl-1-hydroxyheptyl]furan-2(3H)-one
3-Oxo-7-methyloctanoic acid 2-oxo-3-hydroxypropyl ester
[3-Carboxy-2-(3-methylbut-2-enoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(2-methylidenebutanoyloxy)propyl]-trimethylazanium
(3-Carboxy-2-pent-4-enoyloxypropyl)-trimethylazanium
[3-carboxy-2-[(E)-pent-2-enoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(E)-2-methylbut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-pent-3-enoyl]oxypropyl]-trimethylazanium
Pandangolide 1a
A hexaketide lactone isolated from the sponge-associated fungus Cladosporium sp. It is a diastereoisomer of pandangolide 1.
(2S)-1-[(2S)-2,6-bis(azaniumyl)hexanoyl]pyrrolidine-2-carboxylate
N-(3-imidazol-1-ylpropyl)-7H-purin-1-ium-6-amine
C11H14N7+ (244.13106240000002)
5-(2-Amino-4-methylphenyl)imino-3,3-dimethylcyclohexan-1-one
N,N-diethyl-2-(5-phenyl-1,2-oxazol-3-yl)ethanamine
[3-carboxy-2-[(E)-2-methylbut-2-enoyl]oxypropyl]-trimethylazanium
2,3,4,5-Tetrahydro-1,1,3,3-tetramethyl-1H-pyrido[4,3-b]indol-8-ol
6-Methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydro-gamma-carboline
(1R)-3-(3-Butenyl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,4]diazocin-8-one
Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1]. Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1].
Leu-Leu zwitterion
C12H24N2O3 (244.17868339999998)
An L-aminoacyl-L-amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-leucyl-L-leucine; major species at pH 7.3.
N-(6-aminohexanoyl)-6-aminohexanoic acid zwitterion
C12H24N2O3 (244.17868339999998)
Zwitterionic form N-(6-aminohexanoyl)-6-aminohexanoic acid.
Ile-Leu zwitterion
C12H24N2O3 (244.17868339999998)
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ile-Leu.
Lys-Pro(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Lys-Pro; major species at pH 7.3.
(3s)-9-hydroxy-3-(methoxycarbonyl)-2-methylidenenonanoic acid
1-[2-hydroxy-4-(hydroxymethyl)-5,6-dimethyloxan-3-yl]-2-methylbutan-1-one
(2r)-5-[(3-methylbut-2-en-1-yl)oxy]-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran
(1r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one
ethyl (2r)-2-[(2r,5s)-5-[(2s)-2-hydroxybutyl]oxolan-2-yl]propanoate
2-[(3s,4s,5r)-3-(hydroxymethyl)-5-(prop-1-en-2-yl)-1,2-dioxolan-4-yl]propan-2-yl acetate
7-methoxy-3,5-dimethyl-6-(pent-3-en-1-yl)-1-benzofuran
(2r)-2-methyl-2-(4-methylpent-3-en-1-yl)chromen-6-ol
5-(3-hydroxybut-1-en-1-yl)-4-(hydroxymethyl)-4,6-dimethylcyclohexane-1,3-diol
(6as,10ar)-6,6,9-trimethyl-6ah,7h,8h,10ah-benzo[c]isochromen-2-ol
2-(prop-2-en-1-yl)-1,8-diazatetracyclo[8.3.1.0³,⁸.0³,¹²]tetradec-4-en-7-one
2-[5-(3-hydroxyhexan-2-yl)oxolan-2-yl]propanoic acid
(1s,9s,10r,12s)-4-(methoxymethyl)-9-methyl-13-methylidene-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]trideca-3(7),4-diene
3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
(3e)-4-[(1s,2r,4s)-1,2,4,6-tetrahydroxy-2,6-dimethylcyclohexyl]but-3-en-2-one
(3s,5s)-5-{hydroxy[(2s,3s)-3-[(1r)-1-hydroxybutyl]oxiran-2-yl]methyl}-3-methyloxolan-2-one
(5s,8r)-8-methoxy-3,4,5-trimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan
methyl 8-isopropyl-5-methyl-3,4-dihydronaphthalene-2-carboxylate
7-[(acetyloxy)methyl]-3-hydroxy-3-methyloct-6-enoic acid
(1s,3s,4r,5s,6r)-5-[(1e,3r)-3-hydroxybut-1-en-1-yl]-4-(hydroxymethyl)-4,6-dimethylcyclohexane-1,3-diol
(3S,SR,6R,7E;9S)-megastiman-7-ene-3,5,6,9-tetrol
{"Ingredient_id": "HBIN009731","Ingredient_name": "(3S,SR,6R,7E;9S)-megastiman-7-ene-3,5,6,9-tetrol","Alias": "NA","Ingredient_formula": "C13H24O4","Ingredient_Smile": "CC(C=CC1(C(CC(CC1(C)O)O)(C)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42641","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anagyrine
{"Ingredient_id": "HBIN015975","Ingredient_name": "anagyrine","Alias": "FYU1U980Q9; 5-24-03-00410 (Beilstein Handbook Reference); (1R,9R,10R)-7,15-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)?,(1)?]HEPTADECA-2,4-DIEN-6-ONE; BRN 0086776; ANAGYRINE; (-)-Anagyrine; UNII-FYU1U980Q9; 7,7a,8,9,10,11,13,14-Octahydro-7,14-memethano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one; 3,4,5,6-Tetradehydrospartein-2-one; (7alpha)-11,12,13,14-tetradehydrospartein-15-one; (-)-anagyrine; CHEMBL509692; Rhombinine; Anagyrine; AC1LE9O5; NSC76019; ZINC900282; Monolupine; 486-89-5","Ingredient_formula": "C15H20N2O","Ingredient_Smile": "C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O","Ingredient_weight": "244.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01268;SMIT05719","TCMID_id": "1134","TCMSP_id": "MOL003687;MOL006571","TCM_ID_id": "6815;17611","PubChem_id": "71056954","DrugBank_id": "NA"}