Exact Mass: 539.2917
Exact Mass Matches: 539.2917
Found 500 metabolites which its exact mass value is equals to given mass value 539.2917
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Apramycin
An aminoglycoside that is 2-deoxystreptamine that is substituted on the oxygen at position 4 by an (8R)-2-amino-8-O-(4-amino-4-deoxy-alpha-D-glucopyranosyl)-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octodialdo-1,5:8,4-dipyranos-1-yl) group. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic KEIO_ID A100
1-(3-((((2R,3S,4R,5R)-5-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(isopropyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea
5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate
5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate, also known as Phorbol 12-(2-methylamino)benzoate 13-acetate or CCRIS 7233, is classified as a member of the Phorbol esters. Phorbol esters are tigliane diterpenoids which are esters of phorbol. 5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate is considered to be practically insoluble (in water) and relatively neutral D009676 - Noxae > D002273 - Carcinogens > D010703 - Phorbol Esters
Cholylmethionine
Cholylmethionine belongs to a class of molecules known as bile acid-amino acid conjugates. These are bile acid conjugates that consist of a primary bile acid such as cholic acid, doxycholic acid and chenodeoxycholic acid, conjugated to an amino acid. Cholylmethionine consists of the bile acid cholic acid conjugated to the amino acid Methionine conjugated at the C24 acyl site.Bile acids play an important role in regulating various physiological systems, such as fat digestion, cholesterol metabolism, vitamin absorption, liver function, and enterohepatic circulation through their combined signaling, detergent, and antimicrobial mechanisms (PMID: 34127070). Bile acids also act as detergents in the gut and support the absorption of fats through the intestinal membrane. These same properties allow for the disruption of bacterial membranes, thereby allowing them to serve a bacteriocidal or bacteriostatic function. In humans (and other mammals) bile acids are normally conjugated with the amino acids glycine and taurine by the liver. This conjugation catalyzed by two liver enzymes, bile acid CoA ligase (BAL) and bile acid CoA: amino acid N-acyltransferase (BAT). Glycine and taurine bound BAs are also referred to as bile salts due to their decreased pKa and complete ionization resulting in these compounds being present as anions in vivo. Unlike glycine and taurine-conjugated bile acids, these recently discovered bile acids, such as Cholylmethionine, are produced by the gut microbiota, making them secondary bile acids (PMID: 32103176) or microbially conjugated bile acids (MCBAs) (PMID: 34127070). Evidence suggests that these bile acid-amino acid conjugates are produced by microbes belonging to Clostridia species (PMID: 32103176). These unusual bile acid-amino acid conjugates are found in higher frequency in patients with inflammatory bowel disease (IBD), cystic fibrosis (CF) and in infants (PMID: 32103176). Cholylmethionine appears to act as an agonist for the farnesoid X receptor (FXR) and it can also lead to reduced expression of bile acid synthesis genes (PMID: 32103176). It currently appears that microbially conjugated bile acids (MCBAs) or amino acid-bile acid conjugates are only conjugated to cholic acid, deoxycholic acid and chenodeoxycholic acid (PMID: 34127070). It has been estimated that if microbial conjugation of bile acids is very promiscuous and occurs for all potential oxidized, epimerized, and dehydroxylated states of each hydroxyl group present on cholic acid (C3, C7, C12) in addition to ring orientation, the total number of potential human bile acid conjugates could be over 2800 (PMID: 34127070).
1-Nonadecanoyl-glycero-3-phosphoserine
Apramycin
D064449 - Sequestering Agents > D002614 - Chelating Agents > D002364 - Caseins
Nintedanib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164035 - FGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155727 - FGFR Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Chondrochloren B
A monocarboxylic acid amide with formula C28H42ClNO7, that is produced by Chondromyces crocatus and exhibits antibiotic properties.
Ile Arg His Asp
His Lys Gln Lys
Asp Ile His Arg
Nintedanib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164035 - FGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155727 - FGFR Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Lys Gln His Lys
(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid
(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based on: CCMSLIB00000848683]
(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based: Match]
Ala Phe Phe Arg
Ala Phe Arg Phe
Ala Met Arg Tyr
Ala Met Tyr Arg
Ala Arg Phe Phe
Ala Arg Met Tyr
Ala Arg Tyr Met
Ala Tyr Met Arg
Ala Tyr Arg Met
Cys Arg Val Tyr
Cys Arg Tyr Val
Cys Val Arg Tyr
Cys Val Tyr Arg
Cys Tyr Arg Val
Cys Tyr Val Arg
Asp His Ile Arg
Asp His Leu Arg
Asp His Arg Ile
Asp His Arg Leu
Asp Ile Arg His
Asp Leu His Arg
Asp Leu Arg His
Asp Arg His Ile
Asp Arg His Leu
Asp Arg Ile His
Asp Arg Leu His
Glu His Arg Val
Glu His Val Arg
Glu Lys Thr Tyr
Glu Lys Tyr Thr
Glu Arg His Val
Glu Arg Val His
Glu Thr Lys Tyr
Glu Thr Tyr Lys
Glu Val His Arg
Glu Val Arg His
Glu Tyr Lys Thr
Glu Tyr Thr Lys
Phe Ala Phe Arg
Phe Ala Arg Phe
Phe Phe Ala Arg
Phe Phe Ile Asn
Phe Phe Lys Val
Phe Phe Leu Asn
Phe Phe Asn Ile
Phe Phe Asn Leu
Phe Phe Gln Val
Phe Phe Arg Ala
Phe Phe Val Lys
Phe Phe Val Gln
Phe Ile Phe Asn
Phe Ile Asn Phe
Phe Lys Phe Val
Phe Lys Val Phe
Phe Leu Phe Asn
Phe Leu Asn Phe
Phe Met Arg Ser
Phe Met Ser Arg
Phe Asn Phe Ile
Phe Asn Phe Leu
Phe Asn Ile Phe
Phe Asn Leu Phe
Phe Gln Phe Val
Phe Gln Val Phe
Phe Arg Ala Phe
Phe Arg Phe Ala
Phe Arg Met Ser
Phe Arg Ser Met
Phe Ser Met Arg
Phe Ser Arg Met
Phe Val Phe Lys
Phe Val Phe Gln
Phe Val Lys Phe
Phe Val Gln Phe
His Asp Ile Arg
His Asp Leu Arg
His Asp Arg Ile
His Asp Arg Leu
His Glu Arg Val
His Glu Val Arg
His Ile Asp Arg
His Ile Arg Asp
His Lys Lys Gln
His Lys Gln Gln
His Leu Asp Arg
His Leu Arg Asp
His Met Pro Arg
His Met Arg Pro
His Asn Asn Arg
His Asn Arg Asn
His Pro Met Arg
His Pro Arg Met
His Gln Lys Lys
His Gln Lys Gln
His Gln Gln Lys
His Arg Asp Ile
His Arg Asp Leu
His Arg Glu Val
His Arg Ile Asp
His Arg Leu Asp
His Arg Met Pro
His Arg Asn Asn
His Arg Pro Met
His Arg Val Glu
His Val Glu Arg
His Val Arg Glu
His Val Val Trp
His Val Trp Val
His Trp Val Val
Ile Asp His Arg
Ile Asp Arg His
Ile Phe Phe Asn
Ile Phe Asn Phe
Ile His Asp Arg
Ile His Arg Asp
Ile Asn Phe Phe
Ile Arg Asp His
Lys Glu Thr Tyr
Lys Glu Tyr Thr
Lys Phe Phe Val
Lys Phe Val Phe
Lys His Lys Gln
Lys His Gln Lys
Lys His Gln Gln
Lys Lys His Gln
Lys Lys Gln His
Lys Met Val Tyr
Lys Met Tyr Val
Lys Gln His Gln
Lys Gln Lys His
Lys Gln Gln His
Lys Thr Glu Tyr
Lys Thr Tyr Glu
Lys Val Phe Phe
Lys Val Met Tyr
Lys Val Tyr Met
Lys Tyr Glu Thr
Lys Tyr Met Val
Lys Tyr Thr Glu
Lys Tyr Val Met
Leu Asp His Arg
Leu Asp Arg His
Leu Phe Phe Asn
Leu Phe Asn Phe
Leu His Asp Arg
Leu His Arg Asp
Leu Asn Phe Phe
Leu Arg Asp His
Leu Arg His Asp
Met Ala Arg Tyr
Met Ala Tyr Arg
Met Phe Arg Ser
Met Phe Ser Arg
Met His Pro Arg
Met His Arg Pro
Met Lys Val Tyr
Met Lys Tyr Val
Met Pro His Arg
Met Pro Arg His
Met Arg Ala Tyr
Met Arg Phe Ser
Met Arg His Pro
Met Arg Pro His
Met Arg Ser Phe
Met Arg Tyr Ala
Met Ser Phe Arg
Met Ser Arg Phe
Met Val Lys Tyr
Met Val Tyr Lys
Met Tyr Ala Arg
Met Tyr Lys Val
Met Tyr Arg Ala
Met Tyr Val Lys
Asn Phe Phe Ile
Asn Phe Phe Leu
Asn Phe Ile Phe
Asn Phe Leu Phe
Asn His Asn Arg
Asn His Arg Asn
Asn Ile Phe Phe
Asn Leu Phe Phe
Asn Asn His Arg
Asn Asn Arg His
Asn Arg His Asn
Asn Arg Asn His
Pro His Met Arg
Pro His Arg Met
Pro Met His Arg
Pro Met Arg His
Pro Arg His Met
Pro Arg Met His
Gln Phe Phe Val
Gln Phe Val Phe
Gln His Lys Lys
Gln His Lys Gln
Gln His Gln Lys
Gln Lys His Lys
Gln Lys His Gln
Gln Lys Lys His
Gln Lys Gln His
Gln Gln His Lys
Gln Gln Lys His
Gln Val Phe Phe
Arg Ala Phe Phe
Arg Ala Met Tyr
Arg Ala Tyr Met
Arg Cys Val Tyr
Arg Cys Tyr Val
Arg Asp His Ile
Arg Asp His Leu
Arg Asp Ile His
Arg Asp Leu His
Arg Glu His Val
Arg Glu Val His
Arg Phe Ala Phe
Arg Phe Phe Ala
Arg Phe Met Ser
Arg Phe Ser Met
Arg His Asp Ile
Arg His Asp Leu
Arg His Glu Val
Arg His Ile Asp
Arg His Leu Asp
Arg His Met Pro
Arg His Asn Asn
Arg His Pro Met
Arg His Val Glu
Arg Ile Asp His
Arg Ile His Asp
Arg Leu Asp His
Arg Leu His Asp
Arg Met Ala Tyr
Arg Met Phe Ser
Arg Met His Pro
Arg Met Pro His
Arg Met Ser Phe
Arg Met Tyr Ala
Arg Asn His Asn
Arg Asn Asn His
Arg Pro His Met
Arg Pro Met His
Arg Ser Phe Met
Arg Ser Met Phe
Arg Thr Thr Tyr
Arg Thr Tyr Thr
Arg Val Cys Tyr
Arg Val Glu His
Arg Val His Glu
Arg Val Tyr Cys
Arg Tyr Ala Met
Arg Tyr Cys Val
Arg Tyr Met Ala
Arg Tyr Thr Thr
Arg Tyr Val Cys
Ser Phe Met Arg
Ser Phe Arg Met
Ser Met Phe Arg
Ser Met Arg Phe
Ser Arg Phe Met
Ser Arg Met Phe
Thr Glu Lys Tyr
Thr Glu Tyr Lys
Thr Lys Glu Tyr
Thr Lys Tyr Glu
Thr Arg Thr Tyr
Thr Arg Tyr Thr
Thr Thr Arg Tyr
Thr Thr Tyr Arg
Thr Tyr Glu Lys
Thr Tyr Lys Glu
Thr Tyr Arg Thr
Thr Tyr Thr Arg
Val Cys Arg Tyr
Val Cys Tyr Arg
Val Glu His Arg
Val Glu Arg His
Val Phe Phe Lys
Val Phe Phe Gln
Val Phe Lys Phe
Val Phe Gln Phe
Val His Glu Arg
Val His Arg Glu
Val His Val Trp
Val His Trp Val
Val Lys Phe Phe
Val Lys Met Tyr
Val Lys Tyr Met
Val Met Lys Tyr
Val Met Tyr Lys
Val Gln Phe Phe
Val Arg Cys Tyr
Val Arg Glu His
Val Arg His Glu
Val Arg Tyr Cys
Val Val His Trp
Val Val Trp His
Val Trp His Val
Val Trp Val His
Val Tyr Cys Arg
Val Tyr Lys Met
Val Tyr Met Lys
Val Tyr Arg Cys
Trp His Val Val
Trp Val His Val
Trp Val Val His
Tyr Ala Met Arg
Tyr Ala Arg Met
Tyr Cys Arg Val
Tyr Cys Val Arg
Tyr Glu Lys Thr
Tyr Glu Thr Lys
Tyr Lys Glu Thr
Tyr Lys Met Val
Tyr Lys Thr Glu
Tyr Lys Val Met
Tyr Met Ala Arg
Tyr Met Lys Val
Tyr Met Arg Ala
Tyr Met Val Lys
Tyr Arg Ala Met
Tyr Arg Cys Val
Tyr Arg Met Ala
Tyr Arg Thr Thr
Tyr Arg Val Cys
Tyr Thr Glu Lys
Tyr Thr Lys Glu
Tyr Thr Arg Thr
Tyr Thr Thr Arg
Tyr Val Cys Arg
Tyr Val Lys Met
Tyr Val Met Lys
Tyr Val Arg Cys
3,3,20,20-Bis(ethylene-dioxy)-5α,17α-dihydroxy-11β-4-(N,N-diMethylaMino)-phenyl-19-norpregna-9(11)-ene
1-OCTADECYL-4-(4-PHENYL-1,3-BUTADIENYL)PYRIDINIUM BROMIDE
Dicyclohexyl(9-benzylfluoren-9-yl)phosphoniumtetrafluoroborate
1-cyclopentyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(4-(morpholinomethyl)phenyl)-1H-indazole-4-carboxamide
Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide
D-Streptamine, O-4-amino-4-deoxy-alpha-D-glucopyranosyl-(1-8)-O-(8R)-2-amino-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octadialdo-1,5:8,4-dipyranosyl-(1-4)-2-deoxy-
(E,3R,8S,9S,10R)-N-[(Z)-2-(3-chloro-4-hydroxyphenyl)ethenyl]-2-ethoxy-3,9-dihydroxy-4-methoxy-6,8,10-trimethyl-7-oxotetradec-5-enamide
(2R,3R,4S,5S,6S)-2-[[(3S,4R,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol
(2R,4S,5S)-2-[[(2R,6S,8aS)-7-amino-6-[(2R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol
8-[(2R,5R)-3-hydroxy-5-[4-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoyl]oxy-6-methyloxan-2-yl]oxynonanoic acid
(9E,15E,19E)-3-(2-Amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
N-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
N-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
N-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
N-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
globostellatate A(1-)
A dioxo monocarboxylic acid anion obtained by the deprotonation of the carboxylic group of globostellatic acid A.
2-[(1R,8S,14R,15R)-11-hydroxy-14,15-bis[(E)-oct-6-enyl]-3,5,9-trioxo-4,10-dioxatetracyclo[9.4.0.02,6.08,12]pentadeca-2(6),12-dien-8-yl]acetate
(2S)-2-amino-3-[hydroxy-[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-nonadecanoyloxypropoxy]phosphoryl]oxypropanoic acid
2-Amino-3-[2,3-di(nonanoyloxy)propoxy-hydroxyphosphoryl]oxypropanoic acid
2-Amino-3-[(3-butanoyloxy-2-tetradecanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
2-Amino-3-[(2-dodecanoyloxy-3-hexanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
2-Amino-3-[hydroxy-(2-pentadecanoyloxy-3-propanoyloxypropoxy)phosphoryl]oxypropanoic acid
2-Amino-3-[hydroxy-(3-pentanoyloxy-2-tridecanoyloxypropoxy)phosphoryl]oxypropanoic acid
2-Amino-3-[(2-decanoyloxy-3-octanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
2-Amino-3-[(3-heptanoyloxy-2-undecanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
(E)-(2R,3S)-2-((1S)-1-Tert-butyldimethylsiloxyethyl)-3-(N-benzyl-tert-butyloxycarbonylamino)-5-phenyl-4-pentenoic acid
(2R,3R,4S,5S,6S)-2-[[(2S,3S,4R,4aR,6S,7R,8aR)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol
3-[(3-Acetyloxy-2-hexadecanoyloxypropoxy)-hydroxyphosphoryl]oxy-2-aminopropanoic acid
N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynon-4-en-2-yl]acetamide
N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoct-4-en-2-yl]propanamide
(2S,3S,4R,5R,6R)-2-[[(2S,3S,4R,4aR,6S,7R,8aR)-7-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol
(2S,3S,4R,5R,6R)-2-[[(2R,3S,4R,4aR,7R,8aS)-7-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol
Sapintoxin d
A phorbol ester consisting of phorbol that is acylated at positions 12 and 13 by 2-(methylamino)benzoyl and acetyl groups respectively. D009676 - Noxae > D002273 - Carcinogens > D010703 - Phorbol Esters
phosphatidylserine 18:0
A 3-sn-phosphatidyl-L-serine in which the two phosphatidyl acyl groups contain a total of 18 carbons and are fully saturated.
PS(19:0)
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Taurodeoxycholic acid (sodium hydrate)
Taurodeoxycholic acid sodium hydrate (Sodium taurodeoxycholate monohydrate), a bile acid, is an amphiphilic surfactant molecule synthesized from cholesterol in the liver. Taurodeoxycholic acid sodium hydrate activates the S1PR2 pathway in addition to the TGR5 pathway[1].
(1r,2s,3s,5r,6r,8s,10r,12r,13s,14s,16r,17s,18r,19s)-19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate
methyl (1r,9r,10s,11s,12r,19r)-11-(acetyloxy)-12-ethyl-10-hydroxy-4-[(2r)-5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl]-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,13-tetraene-10-carboxylate
(1s,2s,3s,5r,6r,8s,10z,13s,14s,16r,17r,18s)-18-benzyl-6,13,20-trihydroxy-6,8,14,16-tetramethyl-7-oxo-4,15-dioxa-19-azapentacyclo[10.8.0.0¹,¹⁷.0³,⁵.0¹⁴,¹⁶]icosa-10,19-dien-2-yl acetate
(1r,2r,3s,5r,6r,8s,10e,12r,13s,14s,16r,17s,18r)-18-benzyl-6,13,20-trihydroxy-6,8,14,16-tetramethyl-7-oxo-4,15-dioxa-19-azapentacyclo[10.8.0.0¹,¹⁷.0³,⁵.0¹⁴,¹⁶]icosa-10,19-dien-2-yl acetate
5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-4-yl benzoate
aconosine; 13-acetoxy,14-benzoyl
{"Ingredient_id": "HBIN014587","Ingredient_name": "aconosine; 13-acetoxy,14-benzoyl","Alias": "NA","Ingredient_formula": "C31H41NO7","Ingredient_Smile": "NA","Ingredient_weight": "539.66","OB_score": "NA","CAS_id": "126262-74-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7186","PubChem_id": "NA","DrugBank_id": "NA"}