Exact Mass: 539.3067316
Exact Mass Matches: 539.3067316
Found 420 metabolites which its exact mass value is equals to given mass value 539.3067316
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Apramycin
C21H41N5O11 (539.2802436000001)
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
C28H41N7O4 (539.3219866000001)
Cholylmethionine
C29H49NO6S (539.3280414000001)
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
C21H41N5O11 (539.2802436000001)
D064449 - Sequestering Agents > D002614 - Chelating Agents > D002364 - Caseins
Chondrochloren B
A monocarboxylic acid amide with formula C28H42ClNO7, that is produced by Chondromyces crocatus and exhibits antibiotic properties.
methyl tumonoate B
A natural product found particularly in Oscillatoria margaritifera and Oscillatoria margaritifera.
N1-acetyl-N5,N10-di-(Z,E)-feruloylspermidine
C29H37N3O7 (539.2631372000001)
Ile Arg His Asp
His Lys Gln Lys
C23H41N9O6 (539.3179646000001)
Asp Ile His Arg
Lys Gln His Lys
C23H41N9O6 (539.3179646000001)
(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 Arg Phe Phe
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 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 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 Lys
His Lys Lys Gln
C23H41N9O6 (539.3179646000001)
His Lys Gln Gln
His Leu Asp Arg
His Leu Arg Asp
His Met Pro Arg
His Met Arg Pro
His Pro Met Arg
His Pro Arg Met
His Gln Lys Lys
C23H41N9O6 (539.3179646000001)
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 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 Lys
Lys His Lys Gln
C23H41N9O6 (539.3179646000001)
Lys His Gln Lys
C23H41N9O6 (539.3179646000001)
Lys His Gln Gln
Lys Lys His Lys
Lys Lys His Gln
C23H41N9O6 (539.3179646000001)
Lys Lys Lys His
Lys Lys Gln His
C23H41N9O6 (539.3179646000001)
Lys Met Val Tyr
Lys Met Tyr Val
Lys Gln His Gln
Lys Gln Lys His
C23H41N9O6 (539.3179646000001)
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 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 His Pro
Met Arg Pro His
Met Val Lys Tyr
Met Val Tyr Lys
Met Tyr Lys Val
Met Tyr Val Lys
Asn Phe Phe Ile
Asn Phe Phe Leu
Asn Phe Ile Phe
Asn Phe Leu Phe
Asn Ile Phe Phe
Asn Leu Phe Phe
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
C23H41N9O6 (539.3179646000001)
Gln His Lys Gln
Gln His Gln Lys
Gln Lys His Lys
C23H41N9O6 (539.3179646000001)
Gln Lys His Gln
Gln Lys Lys His
C23H41N9O6 (539.3179646000001)
Gln Lys Gln His
Gln Gln His Lys
Gln Gln Lys His
Gln Val Phe Phe
Arg Ala Phe Phe
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 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 Pro Met
Arg His Val Glu
Arg Ile Asp His
Arg Ile His Asp
Arg Leu Asp His
Arg Leu His Asp
Arg Met His Pro
Arg Met Pro His
Arg Pro His Met
Arg Pro Met His
Arg Thr Thr Tyr
C23H37N7O8 (539.2703482000001)
Arg Thr Tyr Thr
C23H37N7O8 (539.2703482000001)
Arg Val Glu His
Arg Val His Glu
Arg Tyr Thr Thr
C23H37N7O8 (539.2703482000001)
Thr Glu Lys Tyr
Thr Glu Tyr Lys
Thr Lys Glu Tyr
Thr Lys Tyr Glu
Thr Arg Thr Tyr
C23H37N7O8 (539.2703482000001)
Thr Arg Tyr Thr
C23H37N7O8 (539.2703482000001)
Thr Thr Arg Tyr
C23H37N7O8 (539.2703482000001)
Thr Thr Tyr Arg
C23H37N7O8 (539.2703482000001)
Thr Tyr Glu Lys
Thr Tyr Lys Glu
Thr Tyr Arg Thr
C23H37N7O8 (539.2703482000001)
Thr Tyr Thr Arg
C23H37N7O8 (539.2703482000001)
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 Glu His
Val Arg His Glu
Val Val His Trp
Val Val Trp His
Val Trp His Val
Val Trp Val His
Val Tyr Lys Met
Val Tyr Met Lys
Trp His Val Val
Trp Val His Val
Trp Val Val His
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 Lys Val
Tyr Met Val Lys
Tyr Arg Thr Thr
C23H37N7O8 (539.2703482000001)
Tyr Thr Glu Lys
Tyr Thr Lys Glu
Tyr Thr Arg Thr
C23H37N7O8 (539.2703482000001)
Tyr Thr Thr Arg
C23H37N7O8 (539.2703482000001)
Tyr Val Lys Met
Tyr Val Met Lys
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
C32H37BF4P (539.2661909999999)
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
C31H45N3O3S (539.3181460000001)
1-Octadecyl-2-acetamido-2-deoxy-SN-glycerol-3-phosphoethylmethyl sulfide
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-
C21H41N5O11 (539.2802436000001)
(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
1-O-hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine
(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
C21H41N5O11 (539.2802436000001)
N-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
(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
C21H41N5O11 (539.2802436000001)
8-[(2R,5R)-3-hydroxy-5-[4-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoyl]oxy-6-methyloxan-2-yl]oxynonanoic acid
C27H41NO10 (539.2730326000001)
(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-[(3S,9R,10S)-9-[(dimethylamino)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]-2-phenylacetamide
N-[(3R,9R,10R)-9-[(dimethylamino)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]-2-phenylacetamide
N-[(3S,9R,10R)-9-[(dimethylamino)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]-2-phenylacetamide
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-[[(3R,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
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-[(3S,9S,10R)-9-[(dimethylamino)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]-2-phenylacetamide
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-[(3R,9S,10R)-9-[(dimethylamino)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]-2-phenylacetamide
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-[(3S,9R,10S)-9-[(dimethylamino)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]-2-phenylacetamide
N-[(3R,9S,10S)-9-[(dimethylamino)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]-2-phenylacetamide
N-[(3R,9R,10S)-9-[(dimethylamino)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]-2-phenylacetamide
N-[(3S,9S,10S)-9-[(dimethylamino)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]-2-phenylacetamide
N-[(3S,9R,10R)-9-[(dimethylamino)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]-2-phenylacetamide
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-[(3S,9S,10S)-9-[(dimethylamino)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]-2-phenylacetamide
N-[(3R,9S,10S)-9-[(dimethylamino)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]-2-phenylacetamide
N-[(3R,9S,10R)-9-[(dimethylamino)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]-2-phenylacetamide
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-[(3S,9S,10R)-9-[(dimethylamino)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]-2-phenylacetamide
N-[[(3R,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
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,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
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-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide
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
C21H41N5O11 (539.2802436000001)
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
C21H41N5O11 (539.2802436000001)
(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
C21H41N5O11 (539.2802436000001)
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].
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
C29H37N3O7 (539.2631372000001)