Exact Mass: 561.1606

Exact Mass Matches: 561.1606

Found 51 metabolites which its exact mass value is equals to given mass value 561.1606, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dTDP-4-amino-4,6-dideoxy-5-C-methyl-D-allose

dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose

C17H29N3O14P2 (561.1125)

Vitisin A

7-carboxy-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2lambda4,8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

C26H25O14 (561.1244)

Constituent of some red wines. Vitisin A is found in grape wine, alcoholic beverages, and common grape. Vitisin A is found in alcoholic beverages. Vitisin A is a constituent of some red wines

N-Dealkylated derivative

4-[(5-{[(cyclopentyloxy)(hydroxy)methylidene]amino}-1H-indol-3-yl)methyl]-3-methoxy-N-(2-methylbenzenesulphonyl)benzene-1-carboximidic acid

C30H31N3O6S (561.1933)

Malvidin 3-glucoside-pyruvate

3,5,7,4-Tetrahydroxy-3,5-dimethoxyflavylium 3-glucoside-pyruvate

C26H25O14 (561.1244)

Cys Asn Tyr Tyr

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

C25H31N5O8S (561.1893)

Cys Tyr Asn Tyr

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

C25H31N5O8S (561.1893)

Cys Tyr Tyr Asn

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

C25H31N5O8S (561.1893)

Asn Cys Tyr Tyr

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

C25H31N5O8S (561.1893)

Asn Tyr Cys Tyr

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

C25H31N5O8S (561.1893)

Asn Tyr Tyr Cys

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

C25H31N5O8S (561.1893)

Tyr Cys Asn Tyr

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

C25H31N5O8S (561.1893)

Tyr Cys Tyr Asn

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

C25H31N5O8S (561.1893)

Tyr Asn Cys Tyr

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

C25H31N5O8S (561.1893)

Tyr Asn Tyr Cys

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

C25H31N5O8S (561.1893)

Tyr Tyr Cys Asn

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

C25H31N5O8S (561.1893)

Tyr Tyr Asn Cys

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

C25H31N5O8S (561.1893)

N-Desmethylzafirlukast

C30H31N3O6S (561.1933)

Vitisin A

7-carboxy-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2$l^{4},8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

C26H25O14 (561.1244)

Pigment Red 31

C31H23N5O6 (561.1648)

2,7-Dibromo-9-(9-heptadecanyl)-9H-carbazole

C29H41Br2N (561.1606)

Penethecillin

C22H32IN3O4S (561.1158)

BIBF 1120

C25H26Cl2FN7O3 (561.1458)

(2S,3R,4S,5R)-6-Chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro(indole-3,3-pyrrolidine)-5-carboxamide

C29H34Cl2FN3O3 (561.1961)

C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent > C162996 - MDM2 Inhibitor

Benzamide, 4-(4-(((6-methoxy-2-(2-methoxyimidazo(2,1-b)-1,3,4-thiadiazol-6-yl)-4-benzofuranyl)oxy)methyl)-2-thiazolyl)-N,N-dimethyl-

C27H23N5O5S2 (561.1141)

Rodatristat

C27H27ClF3N5O3 (561.1754)

C471 - Enzyme Inhibitor

N-(4-{[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium

C27H33N2O7S2+ (561.1729)

Vitisin A

C26H25O14+ (561.1244)

Constituent of some red wines. Vitisin A is found in grape wine, alcoholic beverages, and common grape. Vitisin A is found in alcoholic beverages. Vitisin A is a constituent of some red wines

Aerobactinate(3-)

C22H33N4O13-3 (561.2044)

D-xylotetraonate

C20H33O18- (561.1667)

[3-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-11-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-4-yl]methylideneoxidanium

[3-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-11-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-4-yl]methylideneoxidanium

C26H25O14+ (561.1244)

alpha-D-Kdo-4P-(2->6)-beta-D-GlcNAc-OAll

C19H32NO16P (561.1459)

An amino disaccharide consisting of a 3-deoxy-4-O-phosphono-D-manno-oct-2-ulose residue attached to beta-glucosamine via an alpha-(2->6)-linkage with an O-allyl group at the anomeric centre.

alpha-D-Kdo-5P-(2->6)-beta-D-GlcNAc-OAll

C19H32NO16P (561.1459)

An amino disaccharide consisting of a 3-deoxy-5-O-phosphono-D-manno-oct-2-ulose residue attached to beta-glucosamine via an alpha-(2->6)-linkage with an O-allyl group at the anomeric centre.

alpha-L-Fucp-(1->3)-[beta-D-Galp4Cl-(1->4)]-beta-D-GlcpNAc-OMe

C21H36ClNO14 (561.1824)

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2-hydroxy-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C26H31N3O9S (561.1781)

2-aminoethyl beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranuronosyl-(1->4)-beta-D-glucopyranoside

C20H35NO17 (561.1905)

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,3-dihydroxypropan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C22H31N3O12S (561.1628)

dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose

C17H29N3O14P2 (561.1125)

Aerobactinate(3-)

C22H33N4O13 (561.2044)

A tricarboxylate arising from deprotonation of the three carboxylic acid groups of aerobactin; major species at pH 7.3.

Arg-Gly-Glu-Ser (TFA)

C18H30F3N7O10 (561.2006)

Arg-Gly-Glu-Ser TFA is a RGD-related peptide and a control for the RGDS ihibitory activity on fibrinogen binding to activated platelets.

MI-773

C29H34Cl2FN3O3 (561.1961)

MI-773 is a potent MDM2-p53 protein‐protein interaction (PPI) inhibitor with high binding affinity against MDM2 (Kd=8.2 nM). MI-773 has antitumor activity[1][2].

(10s,11r,12r,13s,14r)-12-(dimethylcarbamoyl)-10-hydroxy-8-methoxy-14-(4-methoxyphenyl)-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-trien-11-yl acetate

C31H31NO9 (561.1999)

12-(dimethylcarbamoyl)-10-hydroxy-8-methoxy-14-(4-methoxyphenyl)-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-trien-11-yl acetate

C31H31NO9 (561.1999)

2-[(15s,16r,17s,18s,20r)-15,16,17-trihydroxy-6,18-dimethyl-2,10,13-trioxo-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),3,5,8,11-pentaen-7-yl]benzoic acid

C30H27NO10 (561.1635)

2-{15,16,17-trihydroxy-6,18-dimethyl-2,10,13-trioxo-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),3,5,8,11-pentaen-7-yl}benzoic acid

C30H27NO10 (561.1635)

3-carboxy-11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),2,4,6,9(13),10-hexaen-2-ylium

3-carboxy-11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),2,4,6,9(13),10-hexaen-2-ylium

[C26H25O14]+ (561.1244)

2-[(15r,16s,17r,18r,20s)-15,16,17-trihydroxy-6,18-dimethyl-2,10,13-trioxo-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),3,5,8,11-pentaen-7-yl]benzoic acid

C30H27NO10 (561.1635)

7,21-dihydroxy-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

C30H27NO10 (561.1635)