Exact Mass: 555.2841676
Exact Mass Matches: 555.2841676
Found 500 metabolites which its exact mass value is equals to given mass value 555.2841676
,
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.
Adomeglivant
C32H36F3NO4 (555.2596292000001)
Butirosina
N-[(5Z)-5-(2,6-Dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]-2-[4-(phenylmethoxy)phenyl]acetamide
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.
scutebarbatine F
A diterpene alkaloid of group of neo-clerodanes isolated from the whole plants of Scutellaria barbata and has been shown to exhibit neoplastic activity.
[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)
(2S,3S,4R,5R)-3,4-dimethyl-2-hydroxyl-5-(4-hydroxyl-4,5-methylenedioxy-6,3,5-trimethoxylbiphenyl-2-yl)tetrahydrofuranyl-8-oxo-1-oxa-3-azaspiro[4.5]dec-2-enyl-2,8-ether|gymnothelignan A
Tyr Ala Phe Arg
Ala Phe Tyr Arg
Glu Arg His Asp
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 Glu His Arg
Asp Glu Arg His
Asp Phe Phe Lys
Asp Phe Lys Phe
Asp His Glu Arg
Asp His Arg Glu
Asp His Val Trp
Asp His Trp Val
Asp Lys Phe Phe
Asp Arg Glu His
Asp Arg His Glu
Asp Val His Trp
Asp Val Trp His
Asp Trp His Val
Asp Trp Val His
Glu Asp His Arg
Glu Asp Arg His
Phe Ala Arg Tyr
Phe Ala Tyr Arg
Phe Asp Phe Lys
Phe Asp Lys Phe
Phe Phe Asp Lys
Phe Phe Gly Trp
C31H33N5O5 (555.2481568000001)
Phe Phe Lys Asp
Phe Phe Arg Ser
Phe Phe Ser Arg
Phe Phe Trp Gly
C31H33N5O5 (555.2481568000001)
Phe Gly Phe Trp
C31H33N5O5 (555.2481568000001)
Phe Gly Trp Phe
C31H33N5O5 (555.2481568000001)
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 Met Met
Phe Lys Val Tyr
Phe Lys Tyr Val
Phe Leu Asn Tyr
Phe Leu Tyr Asn
Phe Met Lys Met
Phe Met Met Lys
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 Trp Phe Gly
C31H33N5O5 (555.2481568000001)
Phe Trp Gly Phe
C31H33N5O5 (555.2481568000001)
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
Gly Phe Phe Trp
C31H33N5O5 (555.2481568000001)
Gly Phe Trp Phe
C31H33N5O5 (555.2481568000001)
Gly Trp Phe Phe
C31H33N5O5 (555.2481568000001)
His Asp Val Trp
His Asp Trp Val
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 Val Asp Trp
His Val Trp Asp
His Trp Asp Val
His Trp Ile Thr
His Trp Leu Thr
His Trp Thr Ile
His Trp Thr Leu
His Trp Val Asp
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 Met Met
Lys Phe Val Tyr
Lys Phe Tyr Val
Lys Met Phe Met
Lys Met Met Phe
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 Phe Lys Met
Met Phe Met Lys
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 Lys Phe Met
Met Lys Met Phe
Met Leu His Arg
Met Leu Arg His
Met Met Phe Lys
Met Met Lys Phe
Met Arg His Ile
Met Arg His Leu
Met Arg Ile His
Met Arg Leu His
Met Arg Ser Tyr
Met Arg Tyr Ser
Met Ser Arg Tyr
Met Ser Tyr Arg
Met Tyr Arg Ser
Met Tyr Ser Arg
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 Met Ser Tyr
Arg Met Tyr Ser
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 Ser Met Tyr
Arg Ser Tyr Met
Arg Tyr Ala Phe
Arg Tyr Phe Ala
Arg Tyr Met Ser
Arg Tyr Ser Met
Ser Phe Phe Arg
Ser Phe Arg Phe
Ser Met Arg Tyr
Ser Met Tyr Arg
Ser Arg Phe Phe
Ser Arg Met Tyr
Ser Arg Tyr Met
Ser Tyr Met Arg
Ser Tyr Arg Met
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 Asp His Trp
Val Asp Trp His
Val Phe Lys Tyr
Val Phe Gln Tyr
Val Phe Tyr Lys
Val Phe Tyr Gln
Val His Asp Trp
Val His Trp Asp
Val Lys Phe Tyr
Val Lys Tyr Phe
Val Gln Phe Tyr
Val Gln Tyr Phe
Val Trp Asp His
Val Trp His Asp
Val Tyr Phe Lys
Val Tyr Phe Gln
Val Tyr Lys Phe
Val Tyr Gln Phe
Trp Asp His Val
Trp Asp Val His
Trp Phe Phe Gly
C31H33N5O5 (555.2481568000001)
Trp Phe Gly Phe
C31H33N5O5 (555.2481568000001)
Trp Gly Phe Phe
C31H33N5O5 (555.2481568000001)
Trp His Asp Val
Trp His Ile Thr
Trp His Leu Thr
Trp His Thr Ile
Trp His Thr Leu
Trp His Val Asp
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
Trp Val Asp His
Trp Val His Asp
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 Met Arg Ser
Tyr Met Ser Arg
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 Arg Met Ser
Tyr Arg Ser Met
Tyr Ser Met Arg
Tyr Ser Arg Met
Tyr Val Phe Lys
Tyr Val Phe Gln
Tyr Val Lys Phe
Tyr Val Gln Phe
Adomeglivant
C32H36F3NO4 (555.2596292000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
(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
propyl 3-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-O-(alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranoside
(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
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-phenylbenzenesulfonamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-phenylbenzenesulfonamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-phenylbenzenesulfonamide
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-phenylbenzenesulfonamide
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-[[(4R,5R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
C29H37N3O6S (555.2402942000001)
N-[[(4S,5S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
C29H37N3O6S (555.2402942000001)
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
N-[[(4S,5R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
C29H37N3O6S (555.2402942000001)
N-[[(4R,5S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
C29H37N3O6S (555.2402942000001)
N-[[(4S,5R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
C29H37N3O6S (555.2402942000001)
N-[[(4S,5S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
C29H37N3O6S (555.2402942000001)
N-[[(4R,5R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
C29H37N3O6S (555.2402942000001)
N-[[(4R,5S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
C29H37N3O6S (555.2402942000001)
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
2-O-demethyl-beta-anthrosyl-(1->3)-alpha-L-rhamnosyl-(1->3)-alpha-L-rhamnose
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-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-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
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.
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.
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'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate
(1r,3r,4as,5r,6s,6as,10ar,10br)-1,5-bis(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate
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
1,5-bis(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate
(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
(2r)-n-[4-(acetyloxy)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-(4-methoxyphenyl)propanimidic acid
(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
2',10'-bis(acetyloxy)-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate
[(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
(3s,4ar,5s,6r,6ar,10r,10as,10br)-5,6-bis(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-10-yl pyridine-3-carboxylate
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)