Exact Mass: 545.1558906
Exact Mass Matches: 545.1558906
Found 312 metabolites which its exact mass value is equals to given mass value 545.1558906,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Man(a3)Man(b4)GlcNAc
C20H35NO16 (545.1955750000001)
alpha-D-Galactosyl-N-acetyllactosamine
C20H35NO16 (545.1955750000001)
dTDP-beta-L-4-epi-vancosamine
Alvelestat
C25H22F3N5O4S (545.1344528000001)
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Doxorubicinol
Doxorubicinol belongs to the family of Anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.
Lacto-N-triaose
C20H35NO16 (545.1955750000001)
Human beta-1,3-N-acetylglucosaminyltransferase 2 (beta3GnT2) converts lacto-N-triose II into lacto-N-tetraose and lacto-N-neotetraose. (PMID:16277601).
Lacto-N-triose I
C20H35NO16 (545.1955750000001)
Lacto-N-triose I is found in milk and milk products. Lacto-N-triose I is isolated from the partial acid hydrolysis of human milk. Isolated from the partial acid hydrolysis of human milk. Lacto-N-triose I is found in milk and milk products.
N-Acetylgalactosaminyl lactose
C20H35NO16 (545.1955750000001)
N-Acetylgalactosaminyl lactose is a trisaccharide obtained from bovine colostrum. A trisaccharide obtained from bovine colostrum
4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium
C27H33N2O6S2 (545.1779938000001)
4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium belongs to the family of Diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. (http://en.wikipedia.org/wiki/Diphenylmethane)
Doxorubicinol aglycone
Doxorubicinol aglycone is a metabolite of doxorubicin. Doxorubicin is a drug used in cancer chemotherapy. It is an anthracycline antibiotic, closely related to the natural product daunomycin, and like all anthracyclines, it works by intercalating DNA. Doxorubicin is commonly used in the treatment of a wide range of cancers, including hematological malignancies, many types of carcinoma, and soft tissue sarcomas. Doxorubicins most serious adverse effect is life-threatening heart damage. (Wikipedia)
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc
C20H35NO16 (545.1955750000001)
Alvelestat
C25H22F3N5O4S (545.1344528000001)
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Gal-alpha1,4Gal-beta1,4-GlcNAc
C20H35NO16 (545.1955750000001)
5-(3-(4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-2-propynyl)phenanthridin-6(5H)-one
C31H20ClN5OS (545.1077020000001)
THOS Streptonigrin
Adafosbuvir
6-O-[2-Acetamido-2-deoxy-4-O-(b-D-galactopyranosyl)-b-D-glucopyranosyl]-D-galactopyranose
C20H35NO16 (545.1955750000001)
O3-(2-acetylamino-O3-beta-D-galactopyranosyl-2-deoxy-beta-D-glucopyranosyl)-D-galactose|O3-(2-Acetylamino-O3-beta-D-galactopyranosyl-2-desoxy-beta-D-glucopyranosyl)-D-galactose
C20H35NO16 (545.1955750000001)
N-Ac-2-Amino-2-deoxy-beta-D-glucopyranosyl-(1?3)-beta-D-galactopyranosyl-(1?4)-D-glucose
C20H35NO16 (545.1955750000001)
Cys Phe Asn Tyr
Cys Phe Tyr Asn
Cys His Thr Trp
Cys His Trp Thr
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Cys Asn Tyr Phe
Cys Thr His Trp
Cys Thr Trp His
Cys Trp His Thr
Cys Trp Thr His
Cys Tyr Phe Asn
Cys Tyr Asn Phe
Phe Cys Asn Tyr
Phe Cys Tyr Asn
Phe Asn Cys Tyr
Phe Asn Tyr Cys
Phe Tyr Cys Asn
Phe Tyr Asn Cys
His Cys Thr Trp
His Cys Trp Thr
His Thr Cys Trp
His Thr Trp Cys
His Trp Cys Thr
His Trp Thr Cys
Asn Cys Phe Tyr
Asn Cys Tyr Phe
Asn Phe Cys Tyr
Asn Phe Tyr Cys
Asn Tyr Cys Phe
Asn Tyr Phe Cys
Thr Cys His Trp
Thr Cys Trp His
Thr His Cys Trp
Thr His Trp Cys
Thr Trp Cys His
Thr Trp His Cys
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Trp Thr Cys His
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Tyr Cys Phe Asn
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Lacto-N-triaose
C20H35NO16 (545.1955750000001)
Doxorubicinol
A member of the class of tetracenequinones that is the major metabolite of the anthracycline doxorubicin, a chemotherapeutic agent effective against a broad range of malignant neoplasms. It is thought to exhibit cardiotoxic properties.
Lacto-N-triose I
C20H35NO16 (545.1955750000001)
N-Acetylgalactosaminyl lactose
C20H35NO16 (545.1955750000001)
2-nitrophenyl-beta-d-galactopyranoside-6-phosphate dicyclohexyl
4-O-(6-O-[2-Acetamido-2-deoxy-b-D-glucopyranosyl]-b-D-galactopyranosyl)-D-glucopyranose
C20H35NO16 (545.1955750000001)
betaLacNAc
C20H35NO16 (545.1955750000001)
Sufrexal
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Ketanserin (R41468) tartrate is a selective 5-HT2 receptor antagonist. Ketanserin tartrate also blocks hERG current (IhERG) in a concentration-dependent manner (IC50=0.11 μM).
3-[(2R)-2-Amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
4-nitrophenyl 2-acetamido-3-o-(2-acetamido-2-deoxy-b-d-glucopyranosyl)-2-deoxy-a-d-galactopyranoside
4-Nitrophenyl 2-acetamido-6-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-α-D-galactopyranoside
Uprifosbuvir
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
O-2-(Acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4)-O-alpha-D-galactopyranosyl-(1-4)-D-glucose
C20H35NO16 (545.1955750000001)
Adafosbuvir
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor
Gefapixant citrate
C20H27N5O11S (545.1427712000001)
C78272 - Agent Affecting Nervous System > C177180 - P2X Purinoreceptor Antagonist
5-(3-(4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-2-propynyl)phenanthridin-6(5H)-one
C31H20ClN5OS (545.1077020000001)
[4-[[4-(Diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
C27H33N2O6S2+ (545.1779938000001)
alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-GlcNAc
C20H35NO16 (545.1955750000001)
N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
C20H35NO16 (545.1955750000001)
beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)-D-Gal
C20H35NO16 (545.1955750000001)
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc
C20H35NO16 (545.1955750000001)
4-{[4-(Diethylamino)phenyl](2,5-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium
C27H33N2O6S2+ (545.1779938000001)
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc
C20H35NO16 (545.1955750000001)
alpha-D-galactosyl-(1,3)-beta-D-galactosyl-(1,4)-N-acetyl-D-glucosamine
C20H35NO16 (545.1955750000001)
beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp
C20H35NO16 (545.1955750000001)
N-[(2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
C20H35NO16 (545.1955750000001)
beta-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
C20H35NO16 (545.1955750000001)
alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc
C20H35NO16 (545.1955750000001)
4-[(2E)-2-[(3-Methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide
C27H27N7O4S (545.1845142000001)
N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide
N-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
C20H35NO16 (545.1955750000001)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
C20H35NO16 (545.1955750000001)
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
C20H35NO16 (545.1955750000001)
N-acetyl-alpha-D-galactosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose
C20H35NO16 (545.1955750000001)
beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannopyranose
C20H35NO16 (545.1955750000001)
beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-D-Gal
C20H35NO16 (545.1955750000001)
alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-D-glucosamine
C20H35NO16 (545.1955750000001)
beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->6)-beta-D-galactose
C20H35NO16 (545.1955750000001)
beta-D-Glcp-(1->6)-beta-D-GlcpNAc-(1->3)-beta-D-Galp
C20H35NO16 (545.1955750000001)
alpha-D-Gal-(1->4)-beta-D-Gal-(1->3)-alpha-D-GalNAc
C20H35NO16 (545.1955750000001)
beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-beta-D-GlcpNAc
C20H35NO16 (545.1955750000001)
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-NHAc
C20H35NO16 (545.1955750000001)
alpha-D-Gal-(1->3)-beta-D-Gal-(1->3)-beta-D-GlcNAc
C20H35NO16 (545.1955750000001)
(3R,3R,4S,6R,8S,8aS)-6-(4-hydroxyphenyl)-1,2-dioxo-3,4-diphenyl-8-spiro[1H-indole-3,7-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2,2,2-trifluoroethylsulfonyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C20H30F3N3O7S2 (545.1477186000001)
N-[[(2R,3R)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
N-[[(2S,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
N-[[(2R,3R)-8-(3-cyclopentylprop-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
N-[[(2S,3R)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
N-[[(2S,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
alpha-D-Galp-(1->4)-beta-D-GalpNAc-(1->4)-D-Galp
C20H35NO16 (545.1955750000001)
alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-GalpNAc
C20H35NO16 (545.1955750000001)
N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-galactosyl-(1->3)-D-galactose
C20H35NO16 (545.1955750000001)
D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-D-manno-hexopyranose
C20H35NO16 (545.1955750000001)
D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-beta-D-manno-hexopyranose
C20H35NO16 (545.1955750000001)
D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranose
C20H35NO16 (545.1955750000001)
2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
C20H35NO16 (545.1955750000001)
A linear amino trisaccharide comprising of 2-acetamido-2-deoxy-beta-D-glucopyranosyl residue (1->3)-linked to a beta-D-galactosyl residue, which is in turn linked (1->4) to D-glucose.
2,3,9,20,23,27-hexahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.0²,⁷.0³,¹⁴.0⁸,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-1(16),8,10,12,17(26),19,21,23,27-nonaene-5,18,25-trione
12-(3,4-dimethoxyphenyl)-7,18-dihydroxy-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one
7-hydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one
(2r,3s,4r,6r,7r,14s)-2,3,9,20,23,27-hexahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.0²,⁷.0³,¹⁴.0⁸,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-1(16),8,10,12,17(26),19,21,23,27-nonaene-5,18,25-trione
12-(3,4-dimethoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-ol
2-[(e)-[(3-{[(1e,2r,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid
C24H35NO9S2 (545.1753140000001)
2-[(e)-[(3-{[(1e,2s,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid
C24H35NO9S2 (545.1753140000001)
12-(3,5-dimethoxyphenyl)-7,18-dihydroxy-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one
7-hydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one
2-{[(3-{[(1e)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino}ethanesulfonic acid
C24H35NO9S2 (545.1753140000001)
2-[(e)-[(3-{[(1e,2s,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid
C24H35NO9S2 (545.1753140000001)