Exact Mass: 555.3096906000001
Exact Mass Matches: 555.3096906000001
Found 429 metabolites which its exact mass value is equals to given mass value 555.3096906000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxyapramycin
Pateamine
C31H45N3O4S (555.3130610000001)
A marine macrodiolide that is isolated from the sponge Mycale hentscheli and exhibits anticancer and antiviral properties
Butirosin B
A butirosin that consists of neamine in which is substituted at position 2 by a beta-D-ribofuranosyl and at position 4 by an (S)-2-hydroxy-4-aminobutyryl group. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
Enkephalin L
Enkephalin L is an opioid peptide. Opioid peptides are a group of neuropeptides which include enkephalins, endorphins and dynorphins. In addition to their central and peripheral antinociceptive function, opioids can modulate immune activity and cell proliferation. Enkephalins typically have a turnover rate measured in seconds to minutes, both in vivo and in vitro, and this stability is related to the age of the cell system under study. It is noteworthy that the residues most essential to enkephalin function are also either neurotransmitters themselves (glycine) or immediate precursors of L-Dopa, dopamine and norepinephrine (tyrosine and phenylalanine). The variable fifth amino acid leucine (leu5) or methionine (met5) has not yet been assigned any neurotransmitter candidacy. Again, this suggests that enkephalin is polyfunctional in that, in its intact state it elicits binding to the same sites in the brain as morphine and other opiates, and its degradation products have a potential for follow-up accessory functions by reacting as signaling entities themselves, or as the immediate precursors to inhibitory or metabotropic neurotransmitters. Enkephalins are present in macrophages infiltrating the dermal papillae in involved psoriatic skin and that the amount of enkephalin is significantly increased in involved psoriatic skin. Major enkephalin pathways in the brain involve the extrapyramidal system, including motor pathways controlled by the basal ganglia, the limbic system that governs emotional and behavioral control, and the hypothalamic-neuroendocrine axis. The apparent overlap of localization within the central nervous system of dopaminergic, glycinergic, and enkephalinergic pathways is speculated to be of neurophysiological significance, especially in light of the relatively short half-life of the enkephalins and the immediate precursor-product relationship between tyrosine and dopamine, and glycinergic signaling. Enkephalins are released into the bloodstream of mammals by the adrenal medulla. Once they are in the blood, these peptides undergo a fairly rapid hydrolysis by several plasma-contained enzymes. However, a fraction of the enkephalins present in the plasma are bound to the serum albumin, and the bound peptides are almost completely intact even after a long incubation in the presence of serum enzymes. (PMID: 9450624, 16802191, 4069309) [HMDB] Enkephalin L is an opioid peptide. Opioid peptides are a group of neuropeptides which include enkephalins, endorphins and dynorphins. In addition to their central and peripheral antinociceptive function, opioids can modulate immune activity and cell proliferation. Enkephalins typically have a turnover rate measured in seconds to minutes, both in vivo and in vitro, and this stability is related to the age of the cell system under study. It is noteworthy that the residues most essential to enkephalin function are also either neurotransmitters themselves (glycine) or immediate precursors of L-Dopa, dopamine and norepinephrine (tyrosine and phenylalanine). The variable fifth amino acid leucine (leu5) or methionine (met5) has not yet been assigned any neurotransmitter candidacy. Again, this suggests that enkephalin is polyfunctional in that, in its intact state it elicits binding to the same sites in the brain as morphine and other opiates, and its degradation products have a potential for follow-up accessory functions by reacting as signaling entities themselves, or as the immediate precursors to inhibitory or metabotropic neurotransmitters. Enkephalins are present in macrophages infiltrating the dermal papillae in involved psoriatic skin and that the amount of enkephalin is significantly increased in involved psoriatic skin. Major enkephalin pathways in the brain involve the extrapyramidal system, including motor pathways controlled by the basal ganglia, the limbic system that governs emotional and behavioral control, and the hypothalamic-neuroendocrine axis. The apparent overlap of localization within the central nervous system of dopaminergic, glycinergic, and enkephalinergic pathways is speculated to be of neurophysiological significance, especially in light of the relatively short half-life of the enkephalins and the immediate precursor-product relationship between tyrosine and dopamine, and glycinergic signaling. Enkephalins are released into the bloodstream of mammals by the adrenal medulla. Once they are in the blood, these peptides undergo a fairly rapid hydrolysis by several plasma-contained enzymes. However, a fraction of the enkephalins present in the plasma are bound to the serum albumin, and the bound peptides are almost completely intact even after a long incubation in the presence of serum enzymes. (PMID: 9450624, 16802191, 4069309). D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004745 - Enkephalins [Leu5]-Enkephalin is a pentapeptide with morphine like properties. [Leu5]-Enkephalin is a five amino acid endogenous peptide that acts as an agonist at opioid receptors. [Leu5]-Enkephalin is a pentapeptide with morphine like properties. [Leu5]-Enkephalin is a five amino acid endogenous peptide that acts as an agonist at opioid receptors. [Leu5]-Enkephalin is a pentapeptide with morphine like properties. [Leu5]-Enkephalin is a five amino acid endogenous peptide that acts as an agonist at opioid receptors.
Cholylphenylalanine
Chenodeoxycholyltyrosine
Chenodeoxycholyltyrosine 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. Chenodeoxycholyltyrosine consists of the bile acid chenodeoxycholic acid conjugated to the amino acid Tyrosine 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 Chenodeoxycholyltyrosine, 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). Chenodeoxycholyltyrosine 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).
Deoxycholyltyrosine
Deoxycholyltyrosine 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. Deoxycholyltyrosine consists of the bile acid deoxycholic acid conjugated to the amino acid Tyrosine 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 Deoxycholyltyrosine, 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). Deoxycholyltyrosine 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). D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Butirosina
DG(2:0/LTE4/0:0)
C28H45NO8S (555.2865730000001)
DG(2:0/LTE4/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/LTE4/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(LTE4/2:0/0:0)
C28H45NO8S (555.2865730000001)
DG(LTE4/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(LTE4/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/LTE4)
C28H45NO8S (555.2865730000001)
DG(2:0/0:0/LTE4) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(LTE4/0:0/2:0)
C28H45NO8S (555.2865730000001)
DG(LTE4/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
[6-{(1E,3E)-5-[(2S,3S,5R,6R)-5-{[(2Z,4S)-4-(acetyloxy)pent-2-enoyl]amino}-3,6-dimethyltetrahydro-2H-pyran-2-yl]-3-methylpenta-1,3-dien-1-yl}-4-(chloromethyl)-4-hydroxytetrahydro-2H-pyran-2-yl]acetic acid
C28H42ClNO8 (555.2598802000001)
Tyr Ala Phe Arg
Ala Phe Tyr Arg
Phe Tyr Val Lys
YGGFL
D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004745 - Enkephalins
Ala Phe Arg Tyr
Ala Arg Phe Tyr
Ala Arg Tyr Phe
Ala Tyr Phe Arg
Ala Tyr Arg Phe
Asp Phe Phe Lys
Asp Phe Lys Phe
Asp Lys Phe Phe
Phe Ala Arg Tyr
Phe Ala Tyr Arg
Phe Asp Phe Lys
Phe Asp Lys Phe
Phe Phe Asp Lys
Phe Phe Lys Asp
Phe Phe Arg Ser
Phe Phe Ser Arg
Phe His Pro Arg
Phe His Arg Pro
Phe Ile Asn Tyr
Phe Ile Tyr Asn
Phe Lys Asp Phe
Phe Lys Phe Asp
Phe Lys Val Tyr
Phe Lys Tyr Val
Phe Leu Asn Tyr
Phe Leu Tyr Asn
Phe Asn Ile Tyr
Phe Asn Leu Tyr
Phe Asn Tyr Ile
Phe Asn Tyr Leu
Phe Pro His Arg
Phe Pro Arg His
Phe Gln Val Tyr
Phe Gln Tyr Val
Phe Arg Ala Tyr
Phe Arg Phe Ser
Phe Arg His Pro
Phe Arg Pro His
Phe Arg Ser Phe
Phe Arg Tyr Ala
Phe Ser Phe Arg
Phe Ser Arg Phe
Phe Val Lys Tyr
Phe Val Gln Tyr
Phe Val Tyr Lys
Phe Val Tyr Gln
Phe Tyr Ala Arg
Phe Tyr Ile Asn
Phe Tyr Lys Val
Phe Tyr Leu Asn
Phe Tyr Asn Ile
Phe Tyr Asn Leu
Phe Tyr Gln Val
Phe Tyr Arg Ala
Phe Tyr Val Gln
His Phe Pro Arg
His Phe Arg Pro
His Ile Met Arg
His Ile Arg Met
His Ile Thr Trp
His Ile Trp Thr
His Leu Met Arg
His Leu Arg Met
His Leu Thr Trp
His Leu Trp Thr
His Met Ile Arg
His Met Leu Arg
His Met Arg Ile
His Met Arg Leu
His Pro Phe Arg
His Pro Arg Phe
His Arg Phe Pro
His Arg Ile Met
His Arg Leu Met
His Arg Met Ile
His Arg Met Leu
His Arg Pro Phe
His Thr Ile Trp
His Thr Leu Trp
His Thr Trp Ile
His Thr Trp Leu
His Trp Ile Thr
His Trp Leu Thr
His Trp Thr Ile
His Trp Thr Leu
Ile Phe Asn Tyr
Ile Phe Tyr Asn
Ile His Met Arg
Ile His Arg Met
Ile His Thr Trp
Ile His Trp Thr
Ile Met His Arg
Ile Met Arg His
Ile Asn Phe Tyr
Ile Asn Tyr Phe
Ile Arg His Met
Ile Arg Met His
Ile Thr His Trp
Ile Thr Trp His
Ile Trp His Thr
Ile Trp Thr His
Ile Tyr Phe Asn
Ile Tyr Asn Phe
Lys Asp Phe Phe
Lys Phe Asp Phe
Lys Phe Phe Asp
Lys Phe Val Tyr
Lys Phe Tyr Val
Lys Val Phe Tyr
Lys Val Tyr Phe
Lys Tyr Phe Val
Lys Tyr Val Phe
Leu Phe Asn Tyr
Leu Phe Tyr Asn
Leu His Met Arg
Leu His Arg Met
Leu His Thr Trp
Leu His Trp Thr
Leu Met His Arg
Leu Met Arg His
Leu Asn Phe Tyr
Leu Asn Tyr Phe
Leu Arg His Met
Leu Arg Met His
Leu Thr His Trp
Leu Thr Trp His
Leu Trp His Thr
Leu Trp Thr His
Leu Tyr Phe Asn
Leu Tyr Asn Phe
Met His Ile Arg
Met His Leu Arg
Met His Arg Ile
Met His Arg Leu
Met Ile His Arg
Met Ile Arg His
Met Leu His Arg
Met Leu Arg His
Met Arg His Ile
Met Arg His Leu
Met Arg Ile His
Met Arg Leu His
Asn Phe Ile Tyr
Asn Phe Leu Tyr
Asn Phe Tyr Ile
Asn Phe Tyr Leu
Asn Ile Phe Tyr
Asn Ile Tyr Phe
Asn Leu Phe Tyr
Asn Leu Tyr Phe
Asn Tyr Phe Ile
Asn Tyr Phe Leu
Asn Tyr Ile Phe
Asn Tyr Leu Phe
Pro Phe His Arg
Pro Phe Arg His
Pro His Phe Arg
Pro His Arg Phe
Pro Gln Arg Arg
Pro Arg Phe His
Pro Arg His Phe
Pro Arg Gln Arg
Pro Arg Arg Gln
Gln Phe Val Tyr
Gln Phe Tyr Val
Gln Pro Arg Arg
Gln Arg Pro Arg
Gln Arg Arg Pro
Gln Val Phe Tyr
Gln Val Tyr Phe
Gln Tyr Phe Val
Gln Tyr Val Phe
Arg Ala Phe Tyr
Arg Ala Tyr Phe
Arg Phe Ala Tyr
Arg Phe Phe Ser
Arg Phe His Pro
Arg Phe Pro His
Arg Phe Ser Phe
Arg Phe Tyr Ala
Arg His Phe Pro
Arg His Ile Met
Arg His Leu Met
Arg His Met Ile
Arg His Met Leu
Arg His Pro Phe
Arg Ile His Met
Arg Ile Met His
Arg Leu His Met
Arg Leu Met His
Arg Met His Ile
Arg Met His Leu
Arg Met Ile His
Arg Met Leu His
Arg Pro Phe His
Arg Pro His Phe
Arg Pro Gln Arg
Arg Pro Arg Gln
Arg Gln Pro Arg
Arg Gln Arg Pro
Arg Arg Pro Gln
Arg Arg Gln Pro
Arg Ser Phe Phe
Arg Tyr Ala Phe
Arg Tyr Phe Ala
Ser Phe Phe Arg
Ser Phe Arg Phe
Ser Arg Phe Phe
Thr His Ile Trp
Thr His Leu Trp
Thr His Trp Ile
Thr His Trp Leu
Thr Ile His Trp
Thr Ile Trp His
Thr Leu His Trp
Thr Leu Trp His
Thr Trp His Ile
Thr Trp His Leu
Thr Trp Ile His
Thr Trp Leu His
Val Phe Lys Tyr
Val Phe Gln Tyr
Val Phe Tyr Lys
Val Phe Tyr Gln
Val Lys Phe Tyr
Val Lys Tyr Phe
Val Gln Phe Tyr
Val Gln Tyr Phe
Val Tyr Phe Lys
Val Tyr Phe Gln
Val Tyr Lys Phe
Val Tyr Gln Phe
Trp His Ile Thr
Trp His Leu Thr
Trp His Thr Ile
Trp His Thr Leu
Trp Ile His Thr
Trp Ile Thr His
Trp Leu His Thr
Trp Leu Thr His
Trp Thr His Ile
Trp Thr His Leu
Trp Thr Ile His
Trp Thr Leu His
Tyr Ala Arg Phe
Tyr Phe Ala Arg
Tyr Phe Ile Asn
Tyr Phe Lys Val
Tyr Phe Leu Asn
Tyr Phe Asn Ile
Tyr Phe Asn Leu
Tyr Phe Gln Val
Tyr Phe Arg Ala
Tyr Phe Val Lys
Tyr Phe Val Gln
Tyr Ile Phe Asn
Tyr Ile Asn Phe
Tyr Lys Phe Val
Tyr Lys Val Phe
Tyr Leu Phe Asn
Tyr Leu Asn Phe
Tyr Asn Phe Ile
Tyr Asn Phe Leu
Tyr Asn Ile Phe
Tyr Asn Leu Phe
Tyr Gln Phe Val
Tyr Gln Val Phe
Tyr Arg Ala Phe
Tyr Arg Phe Ala
Tyr Val Phe Lys
Tyr Val Phe Gln
Tyr Val Lys Phe
Tyr Val Gln Phe
(T-4)-Difluoro[6-(2,4,6-trimethylphenyl)-N-[6-(2,4,6-trimethylphenyl)-2(1H)-quinolinylidene]-2-quinolinaminato]boron
(D-Arg2,Sar4)-Dermorphin (1-4) trifluoroacetate salt
90Yls47brx
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
(9R,13R,14S,16R)-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-2-olate
[(2S,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-hydroxy-5-methyl-4-(methylamino)oxan-3-yl] dihydrogen phosphate
4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[[(3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-3-[[(3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-hydroxycyclohexyl]-2-hydroxybutanamide
3-cyclohexyl-1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C30H41N3O5S (555.2766776000001)
3-cyclohexyl-1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C30H41N3O5S (555.2766776000001)
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C34H41N3O4 (555.3096906000001)
3-cyclohexyl-1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C30H41N3O5S (555.2766776000001)
3-cyclohexyl-1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C30H41N3O5S (555.2766776000001)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C34H41N3O4 (555.3096906000001)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C34H41N3O4 (555.3096906000001)
3-cyclohexyl-1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C30H41N3O5S (555.2766776000001)
3-cyclohexyl-1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C30H41N3O5S (555.2766776000001)
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
3-cyclohexyl-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C30H41N3O5S (555.2766776000001)
3-cyclohexyl-1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C30H41N3O5S (555.2766776000001)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C34H41N3O4 (555.3096906000001)
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C34H41N3O4 (555.3096906000001)
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
globostellatate C(1-)
An oxo monocarboxylic acid anion obtained by the deprotonation of the carboxylic group of globostellatic acid C.
globostellatate B(1-)
An oxo monocarboxylic acid anion obtained by the deprotonation of the carboxylic group of globostellatic acid B.
4-[(3S,6R,7S,8aS)-7-[[(4-fluorophenyl)methylamino]-oxomethyl]-6-[3-(2-hydroxyethoxy)phenyl]-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]butyl-trimethylammonium
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoate
(4E,8E,12E)-3-hydroxy-2-[[(Z)-2-hydroxyhexadec-7-enoyl]amino]tetradeca-4,8,12-triene-1-sulfonic acid
(4E,8E)-3-hydroxy-2-[[(10Z,12Z)-2-hydroxyoctadeca-10,12-dienoyl]amino]dodeca-4,8-diene-1-sulfonic acid
(4E,8E,12E)-3-hydroxy-2-[[(Z)-2-hydroxytridec-8-enoyl]amino]heptadeca-4,8,12-triene-1-sulfonic acid
(4E,8E,12E)-3-hydroxy-2-[[(Z)-2-hydroxydodec-5-enoyl]amino]octadeca-4,8,12-triene-1-sulfonic acid
(4E,8E,12E)-3-hydroxy-2-[[(Z)-2-hydroxypentadec-9-enoyl]amino]pentadeca-4,8,12-triene-1-sulfonic acid
(4E,8E,12E)-3-hydroxy-2-[[(Z)-2-hydroxytetradec-9-enoyl]amino]hexadeca-4,8,12-triene-1-sulfonic acid
(4E,8E)-3-hydroxy-2-[[(4Z,7Z)-2-hydroxyhexadeca-4,7-dienoyl]amino]tetradeca-4,8-diene-1-sulfonic acid
[3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]-2-propanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-acetyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] butanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] hexanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoxy]propan-2-yl] acetate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
N-[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydecan-2-yl]acetamide
N-[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctan-2-yl]butanamide
N-[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonan-2-yl]propanamide
2-[[(E)-2-[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]amino]-3-hydroxyoct-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C29H52N2O6P+ (555.3562801999999)
butirosin A
A butirosin that consists of neamine in which is substituted at position 2 by a beta-D-xylofuranosyl and at position 4 by an (S)-2-hydroxy-4-aminobutyryl group. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
Leu-Enkephalin
A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-leucine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide produced in vertebrate species, including rodents, primates and humans that results from decomposition of proenkephalin or dynorphin and exhibits antinociceptive properties.
1-(2-methoxy-nonadecanyl)-sn-glycero-3-phosphoserine
phosphatidylcholine 20:5
A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two phosphatidyl acyl groups contain a total of 20 carbons and 5 double bonds.
Leu-enkephalin zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Leu-enkephalin. Major species at pH 7.3.
PC(21:5)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
LdMePE(22:5)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
Taurocholic acid (sodium salt hydrate)
Taurocholic acid sodium salt hydrate (Sodium taurocholate hydrate) is a bile acid involved in the emulsification of fats. Taurocholic acid sodium salt hydrate (Sodium taurocholate hydrate) is a bile acid involved in the emulsification of fats.
4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(2s,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid
1'-o-palmitoyl-3'-o-(6-sulfo-o-α-d-quino-vopyranosyl)glycerol
{"Ingredient_id": "HBIN002927","Ingredient_name": "1'-o-palmitoyl-3'-o-(6-sulfo-o-\u03b1-d-quino-vopyranosyl)glycerol","Alias": "NA","Ingredient_formula": "C25H47O11S-","Ingredient_Smile": "CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)[O-])O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16557","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beiwudine
{"Ingredient_id": "HBIN017703","Ingredient_name": "beiwudine","Alias": "NA","Ingredient_formula": "C31H41NO8","Ingredient_Smile": "CCN1CC2(CCC(C34C2C(C=C5C6C3CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC41)OC)COC","Ingredient_weight": "555.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32327","TCMSP_id": "NA","TCM_ID_id": "6408","PubChem_id": "100927670","DrugBank_id": "NA"}
(3s,6z,8e,11s,15r,17s)-15-amino-3-[(1e,3e,5e)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione
C31H45N3O4S (555.3130610000001)
{11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-methoxybenzoate
{6-[5-(5-{[4-(acetyloxy)-1-hydroxypent-2-en-1-ylidene]amino}-3,6-dimethyloxan-2-yl)-3-methylpenta-1,3-dien-1-yl]-4-(chloromethyl)-4-hydroxyoxan-2-yl}acetic acid
C28H42ClNO8 (555.2598802000001)
(2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(2s,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid
(2r,3s,4r,5r,6s,8s,13s,16s,17r,18r)-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-7-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,5s,7s,8r,9r,11s,12s,15s)-21-(2,3-dihydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁹,¹¹.0¹⁷,²⁵.0¹⁸,²³]pentacosa-17(25),18,20,22-tetraene-8,12-diol
(1s,2r,5s,7s,8r,9r,11s,12s,15s)-19-[(2r)-2,3-dihydroxy-3-methylbutyl]-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁹,¹¹.0¹⁷,²⁵.0¹⁸,²³]pentacosa-17(25),18,20,22-tetraene-8,12-diol
(2r,3s,4r,5r,6r,8s,13s,16s,17r,18r)-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-7-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(2s)-2-{[(2s)-2-({2-[(2-{[(2s)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}-4-methylpentanoic acid
(22ar,23s,24r)-14,23,25-trihydroxy-24-methoxy-3,22a-dimethyl-12-phenyl-11h,12h,23h,24h-cyclopenta[v]1-oxa-12-azacyclotetracosan-1-one
4-amino-n-(5-amino-4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl)-2-hydroxybutanimidic acid
(1r,8s,9r,10s,12r,14s,15r,18r,19s,21r,22s,28s)-23-acetyl-18-ethenyl-27-hydroxy-10,12,14,16-tetramethyl-7,25-dioxa-26-azaheptacyclo[19.4.2.2³,⁶.1⁸,¹⁵.0¹,²².0⁹,¹⁴.0¹⁹,²⁸]triaconta-3,5,16,23,26,29-hexaen-20-one
4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid
(1r,2s,3r,4s,5s,6r,7r,10s,12r,15s,18s,19r)-13-ethyl-5,7-dihydroxy-6,18-dimethoxy-15-(methoxymethyl)-11-oxa-13-azahexacyclo[8.8.1.1²,⁵.0¹,¹².0³,⁸.0¹⁵,¹⁹]icos-8-en-4-yl benzoate
(22ar,23s)-1,14,23-trihydroxy-24-methoxy-3,22a-dimethyl-12-phenyl-11h,12h,23h,24h-cyclopenta[v]1-oxa-12-azacyclotetracosan-25-one
2-{[2-({2-[(2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}-4-methylpentanoic acid
19-(2,3-dihydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁹,¹¹.0¹⁷,²⁵.0¹⁸,²³]pentacosa-17(25),18,20,22-tetraene-8,12-diol
[(1s,2r,3r,4s,5r,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-methoxybenzoate
[(2s,4s,6s)-6-[(1e,3e)-5-[(2s,3s,5r,6r)-5-{[(2z,4s)-4-(acetyloxy)-1-hydroxypent-2-en-1-ylidene]amino}-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dien-1-yl]-4-(chloromethyl)-4-hydroxyoxan-2-yl]acetic acid
C28H42ClNO8 (555.2598802000001)
(1r,2r,3s,4r,5r,6s,7r,10s,12r,15s,18s,19r)-13-ethyl-5,7-dihydroxy-6,18-dimethoxy-15-(methoxymethyl)-11-oxa-13-azahexacyclo[8.8.1.1²,⁵.0¹,¹².0³,⁸.0¹⁵,¹⁹]icos-8-en-4-yl benzoate
4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid
15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione
C31H45N3O4S (555.3130610000001)