Exact Mass: 533.2122

Exact Mass Matches: 533.2122

Found 82 metabolites which its exact mass value is equals to given mass value 533.2122, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Ala Glu Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H31N5O9 (533.2122)

Ala Glu Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H31N5O9 (533.2122)

Ala Trp Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]pentanedioic acid

C24H31N5O9 (533.2122)

Cys Phe His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C23H31N7O6S (533.2056)

Cys Phe Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)

Cys His Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C23H31N7O6S (533.2056)

Cys His Gln Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C23H31N7O6S (533.2056)

Cys Gln Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)

Cys Gln His Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C23H31N7O6S (533.2056)

Asp Asp Glu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid

C19H31N7O11 (533.2081)

Asp Asp Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C19H31N7O11 (533.2081)

Asp Asp Val Trp

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid

C24H31N5O9 (533.2122)

Asp Asp Trp Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid

C24H31N5O9 (533.2122)

Asp Glu Asp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid

C19H31N7O11 (533.2081)

Asp Glu Arg Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]butanedioic acid

C19H31N7O11 (533.2081)

Asp Arg Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]pentanedioic acid

C19H31N7O11 (533.2081)

Asp Arg Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]butanedioic acid

C19H31N7O11 (533.2081)

Asp Val Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylbutanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C24H31N5O9 (533.2122)

Asp Val Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H31N5O9 (533.2122)

Asp Trp Asp Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-methylbutanoic acid

C24H31N5O9 (533.2122)

Asp Trp Val Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]butanedioic acid

C24H31N5O9 (533.2122)

Glu Ala Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]propanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H31N5O9 (533.2122)

Glu Ala Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]propanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H31N5O9 (533.2122)

Glu Asp Asp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid

C19H31N7O11 (533.2081)

Glu Asp Arg Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-5-carbamimidamidopentanamido]butanedioic acid

C19H31N7O11 (533.2081)

Glu Glu Ala Trp

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C24H31N5O9 (533.2122)

Glu Glu Trp Ala

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H31N5O9 (533.2122)

Glu Arg Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]butanedioic acid

C19H31N7O11 (533.2081)

Glu Trp Ala Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]propanamido]pentanedioic acid

C24H31N5O9 (533.2122)

Glu Trp Glu Ala

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

C24H31N5O9 (533.2122)

Phe Cys His Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C23H31N7O6S (533.2056)

Phe Cys Gln His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)

Phe His Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C23H31N7O6S (533.2056)

Phe His Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C23H31N7O6S (533.2056)

Phe Gln Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)

Phe Gln His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C23H31N7O6S (533.2056)

His Cys Phe Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C23H31N7O6S (533.2056)

His Cys Gln Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C23H31N7O6S (533.2056)

His Phe Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C23H31N7O6S (533.2056)

His Phe Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C23H31N7O6S (533.2056)

His Gln Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C23H31N7O6S (533.2056)

His Gln Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C23H31N7O6S (533.2056)

Gln Cys Phe His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)

Gln Cys His Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C23H31N7O6S (533.2056)

Gln Phe Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)

Gln Phe His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C23H31N7O6S (533.2056)

Gln His Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C23H31N7O6S (533.2056)

Gln His Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C23H31N7O6S (533.2056)

Arg Asp Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-carboxypropanamido]pentanedioic acid

C19H31N7O11 (533.2081)

Arg Asp Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanamido]-4-carboxybutanamido]butanedioic acid

C19H31N7O11 (533.2081)

Arg Glu Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-3-carboxypropanamido]butanedioic acid

C19H31N7O11 (533.2081)

Val Asp Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-carboxypropanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C24H31N5O9 (533.2122)

Val Asp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H31N5O9 (533.2122)

Val Trp Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]butanedioic acid

C24H31N5O9 (533.2122)

Trp Ala Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-4-carboxybutanamido]pentanedioic acid

C24H31N5O9 (533.2122)

Trp Asp Asp Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-methylbutanoic acid

C24H31N5O9 (533.2122)

Trp Asp Val Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-methylbutanamido]butanedioic acid

C24H31N5O9 (533.2122)

Trp Glu Ala Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]propanamido]pentanedioic acid

C24H31N5O9 (533.2122)

Trp Glu Glu Ala

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

C24H31N5O9 (533.2122)

Trp Val Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-carboxypropanamido]butanedioic acid

C24H31N5O9 (533.2122)

JWH 018 N-(5-hydroxypentyl) β-D-Glucuronide

C30H31NO8 (533.205)

Tefenperate

C29H37Cl2NO4 (533.21)

GR 127935 hydrochloride

C29H32ClN5O3 (533.2194)

JWH 018 N-(5-hydroxypentyl) beta-D-Glucuronide

C30H31NO8 (533.205)

2-Cyclohexyl-N-(2-{4-[5-(2,3-dichloro-phenyl)-2H-pyrazol-3-YL]-piperidin-1-YL}-2-oxo-ethyl)-2-guanidino-acetamide

C25H33Cl2N7O2 (533.2073)

2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-YL]-oxalyl-amino}-benzoic acid

C29H31N3O7 (533.2162)

N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

C26H35N3O7S (533.2196)

N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

C26H35N3O7S (533.2196)

ST 25:7;O5;Tau

C27H35NO8S (533.2083)

(3s,6s,9r,13s,18as)-16-chloro-3,13-diethyl-1,4,7,11-tetrahydroxy-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

C25H32ClN5O6 (533.2041)

(9as,10r,13s,13as)-10,13,15,16-tetrahydroxy-8-methoxy-2-methyl-3-(sec-butyl)-6,7,9a,10,13,13a-hexahydro-9-oxa-2-azahexaphene-1,14-dione

C30H31NO8 (533.205)

astin D

astin d

C25H32ClN5O6 (533.2041)

{"Ingredient_id": "HBIN017204","Ingredient_name": "astin D","Alias": "astin d","Ingredient_formula": "C25H32ClN5O6","Ingredient_Smile": "CCC(C(=O)NC(CO)C(=O)NC(CC(=O)NC(CC)C(=O)O)C1=CC=CC=C1)NC(=O)C2=CC=CN2","Ingredient_weight": "534","OB_score": "52.77764408","CAS_id": "153125-15-6","SymMap_id": "SMIT11507;SMIT14403","TCMID_id": "1932","TCMSP_id": "MOL010456","TCM_ID_id": "6548","PubChem_id": "NA","DrugBank_id": "NA"}

16-chloro-3,13-diethyl-1,4,7,11-tetrahydroxy-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

C25H32ClN5O6 (533.2041)

(2s,3s,4s,5s,6r)-3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C30H31NO8 (533.205)

(2s,3r,4r,5s,6r)-3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C30H31NO8 (533.205)

10,13,15,16-tetrahydroxy-8-methoxy-2-methyl-3-(sec-butyl)-6,7,9a,10,13,13a-hexahydro-9-oxa-2-azahexaphene-1,14-dione

C30H31NO8 (533.205)

4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,4,13,15(19)-pentaen-3-yl 1-methyl 3-benzyl-3-hydroxybutanedioate

C30H31NO8 (533.205)

3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C30H31NO8 (533.205)