Exact Mass: 545.1845

Exact Mass Matches: 545.1845

Found 46 metabolites which its exact mass value is equals to given mass value 545.1845, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Doxorubicinol

(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8-[(1S)-1,2-dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C27H31NO11 (545.1897)


Doxorubicinol belongs to the family of Anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.

   

4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium

4-{[4-(diethylamino)phenyl](2,4-disulphophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium

C27H33N2O6S2 (545.178)


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

10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8-(1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C27H31NO11 (545.1897)


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)

   

THOS Streptonigrin

5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-{5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl}-3-methylpyridine-2-carboxylic acid

C28H27N5O7 (545.191)


   

Siphonodictyal B1

Siphonodictyal B1

C24H35NO9S2 (545.1753)


   

THOS Streptonigrin

THOS Streptonigrin

C28H27N5O7 (545.191)


   

Cys Phe Asn Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H31N5O7S (545.1944)


   

Cys Phe Tyr Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C25H31N5O7S (545.1944)


   

Cys Asn Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H31N5O7S (545.1944)


   

Cys Asn Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C25H31N5O7S (545.1944)


   

Cys Tyr Phe Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-carbamoylpropanoic acid

C25H31N5O7S (545.1944)


   

Cys Tyr Asn Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-phenylpropanoic acid

C25H31N5O7S (545.1944)


   

Phe Cys Asn Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H31N5O7S (545.1944)


   

Phe Cys Tyr Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C25H31N5O7S (545.1944)


   

Phe Asn Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H31N5O7S (545.1944)


   

Phe Asn Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C25H31N5O7S (545.1944)


   

Phe Tyr Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C25H31N5O7S (545.1944)


   

Phe Tyr Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C25H31N5O7S (545.1944)


   

Asn Cys Phe Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H31N5O7S (545.1944)


   

Asn Cys Tyr Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C25H31N5O7S (545.1944)


   

Asn Phe Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H31N5O7S (545.1944)


   

Asn Phe Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C25H31N5O7S (545.1944)


   

Asn Tyr Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C25H31N5O7S (545.1944)


   

Asn Tyr Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C25H31N5O7S (545.1944)


   

Tyr Cys Phe Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-carbamoylpropanoic acid

C25H31N5O7S (545.1944)


   

Tyr Cys Asn Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-phenylpropanoic acid

C25H31N5O7S (545.1944)


   

Tyr Phe Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C25H31N5O7S (545.1944)


   

Tyr Phe Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C25H31N5O7S (545.1944)


   

Tyr Asn Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C25H31N5O7S (545.1944)


   

Tyr Asn Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C25H31N5O7S (545.1944)


   

Epirubicinol

Epirubicinol

C27H31NO11 (545.1897)


   

Doxorubicinol

Doxorubicinol

C27H31NO11 (545.1897)


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.

   

Isopropylidene Azastreptonigrin

Isopropylidene Azastreptonigrin

C28H27N5O7 (545.191)


   

Sufrexal

Ketanserin tartrate

C26H28FN3O9 (545.1809)


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).

   

4-nitrophenyl 2-acetamido-3-o-(2-acetamido-2-deoxy-b-d-glucopyranosyl)-2-deoxy-a-d-galactopyranoside

4-nitrophenyl 2-acetamido-3-o-(2-acetamido-2-deoxy-b-d-glucopyranosyl)-2-deoxy-a-d-galactopyranoside

C22H31N3O13 (545.1857)


   

4-Nitrophenyl 2-acetamido-6-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-α-D-galactopyranoside

4-Nitrophenyl 2-acetamido-6-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-α-D-galactopyranoside

C22H31N3O13 (545.1857)


   

GalNAc beta(1-3)GlcNAc-beta-pNP

GalNAc beta(1-3)GlcNAc-beta-pNP

C22H31N3O13 (545.1857)


   

p-nitrophenyl beta-d-n,n-diacetylchitobiose

4-Nitrophenyl N,N-Diacetyl-beta-D-chitobioside

C22H31N3O13 (545.1857)


   

[4-[[4-(Diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium

[4-[[4-(Diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium

C27H33N2O6S2+ (545.178)


   

4-{[4-(Diethylamino)phenyl](2,5-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium

4-{[4-(Diethylamino)phenyl](2,5-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium

C27H33N2O6S2+ (545.178)


   

Doxorubicin-semiquinone

Doxorubicin-semiquinone

C27H31NO11-2 (545.1897)


   

4-[(2E)-2-[(3-Methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide

4-[(2E)-2-[(3-Methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide

C27H27N7O4S (545.1845)


   

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

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 (545.1753)


   

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

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 (545.1753)


   

2-{[(3-{[(1e)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino}ethanesulfonic acid

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 (545.1753)


   

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

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 (545.1753)