Exact Mass: 747.3802868

Exact Mass Matches: 747.3802868

Found 53 metabolites which its exact mass value is equals to given mass value 747.3802868, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Fumonisin A2

2-[2-({6-[(3,4-dicarboxybutanoyl)oxy]-16,18-dihydroxy-19-[(1-hydroxyethylidene)amino]-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioate

C36H61NO15 (747.4040996)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D037341 - Fumonisins Fumonisin A2 is from Fusarium moniliform From Fusarium moniliforme

   

PA(10:0/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C36H62NO11PS (747.3780992)


PA(10:0/LTE4) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(10:0/LTE4), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of Leukotriene E4 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(LTE4/10:0)

PA(LTE4/10:0)

C36H62NO11PS (747.3780992)


PA(LTE4/10:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(LTE4/10:0), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of decanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

   

N-(5-s-butyl-8,13-diisobutyl-2,10,10,16-tetramethyl-3,6,9,11,14,18-hexaoxo-1,4,12,15-tetraoxa-7-azacyclooctadec-17-yl)-3-formylamino-2-hydroxybenzamide|respirantin

N-(5-s-butyl-8,13-diisobutyl-2,10,10,16-tetramethyl-3,6,9,11,14,18-hexaoxo-1,4,12,15-tetraoxa-7-azacyclooctadec-17-yl)-3-formylamino-2-hydroxybenzamide|respirantin

C37H53N3O13 (747.3578208)


   
   

cyclo(glycyl-L-phenylalanyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-prolyl)|diandrine A

cyclo(glycyl-L-phenylalanyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-prolyl)|diandrine A

C41H45N7O7 (747.3380300000001)


   
   

1,2-dehydrovirgineone

1,2-dehydrovirgineone

C40H61NO12 (747.4193546)


   

2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

NCGC00381288-01!2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

C36H61NO15 (747.4040996)


   

2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic aci

2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic aci

C36H61NO15 (747.4040996)


   

2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid [IIN-based: Match]

NCGC00381288-01!2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid [IIN-based: Match]

C36H61NO15 (747.4040996)


   

Fumonisin A2

2-[2-({6-[(3,4-dicarboxybutanoyl)oxy]-19-acetamido-16,18-dihydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid

C36H61NO15 (747.4040996)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D037341 - Fumonisins

   

OKDdiA-PS

1-(9Z-octadecenoyl)-2-(9-oxo-11-carboxy-10E-undecenoyl)-sn-glycero-3-phosphoserine

C36H62NO13P (747.3958571999999)


   

LHRH (4-10) acetate salt

LHRH (4-10) acetate salt

C33H53N11O9 (747.4027528)


   
   
   

Respirantin

Respirantin

C37H53N3O13 (747.3578208)


A cyclodepsipeptide isolated from Streptomyces and Kitasatospora and has been shown to exhibit antimicrobial and antineoplastic activity.

   

CID 5486187

CID 5486187

C36H61NO15 (747.4040996)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D037341 - Fumonisins

   

SHexCer 15:3;2O/16:1;O

SHexCer 15:3;2O/16:1;O

C37H65NO12S (747.422725)


   

SHexCer 19:3;2O/12:1;O

SHexCer 19:3;2O/12:1;O

C37H65NO12S (747.422725)


   

SHexCer 18:3;2O/13:1;O

SHexCer 18:3;2O/13:1;O

C37H65NO12S (747.422725)


   

SHexCer 17:3;2O/14:1;O

SHexCer 17:3;2O/14:1;O

C37H65NO12S (747.422725)


   

SHexCer 15:2;2O/16:2;O

SHexCer 15:2;2O/16:2;O

C37H65NO12S (747.422725)


   

SHexCer 16:3;2O/15:1;O

SHexCer 16:3;2O/15:1;O

C37H65NO12S (747.422725)


   
   

2-amino-3-[[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C40H62NO10P (747.4111121999999)


   

2-amino-3-[[3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C40H62NO10P (747.4111121999999)


   

(2S)-2-amino-3-[[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(7E,9E,11E,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(7E,9E,11E,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C40H62NO10P (747.4111121999999)


   

(2S)-2-amino-3-[[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C40H62NO10P (747.4111121999999)


   

(2S)-2-amino-3-[[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(11E,13E,15E)-octadeca-11,13,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(11E,13E,15E)-octadeca-11,13,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C40H62NO10P (747.4111121999999)


   
   
   
   
   
   
   
   
   
   

ASP2453

ASP2453

C40H48F3N7O4 (747.3719683999999)


ASP2453 is a potent, selective and covalent KRAS G12C inhibitor. ASP2453 inhibits the Son of Sevenless (SOS)-mediated interaction between KRAS G12C and Raf with an IC50 value of 40 nM.

   

2-hydroxy-n-[6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]-3-[(hydroxymethylidene)amino]benzenecarboximidic acid

2-hydroxy-n-[6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]-3-[(hydroxymethylidene)amino]benzenecarboximidic acid

C37H53N3O13 (747.3578208)


   

(3s,6s,12s,15s,21s)-15-benzyl-5,14,17,20-tetrahydroxy-12-[(4-hydroxyphenyl)methyl]-3-(1h-indol-3-ylmethyl)-1,4,10,13,16,19-hexaazatricyclo[19.3.0.0⁶,¹⁰]tetracosa-4,13,16,19-tetraene-2,11-dione

(3s,6s,12s,15s,21s)-15-benzyl-5,14,17,20-tetrahydroxy-12-[(4-hydroxyphenyl)methyl]-3-(1h-indol-3-ylmethyl)-1,4,10,13,16,19-hexaazatricyclo[19.3.0.0⁶,¹⁰]tetracosa-4,13,16,19-tetraene-2,11-dione

C41H45N7O7 (747.3380300000001)


   

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{[(10r)-10-(acetyloxy)-3-hydroxy-8-[(2s)-2-methylbutanoyl]-1,4,8-triazacyclotridec-3-en-1-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-2-methylbut-2-enoate

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{[(10r)-10-(acetyloxy)-3-hydroxy-8-[(2s)-2-methylbutanoyl]-1,4,8-triazacyclotridec-3-en-1-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-2-methylbut-2-enoate

C34H57N3O15 (747.3789492000001)


   

21-hydroxy-1-{4-hydroxy-5-[(4-hydroxyphenyl)methyl]-2-oxopyrrol-3-yl}-2-methyl-22-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosane-1,11-dione

21-hydroxy-1-{4-hydroxy-5-[(4-hydroxyphenyl)methyl]-2-oxopyrrol-3-yl}-2-methyl-22-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosane-1,11-dione

C40H61NO12 (747.4193546)


   

(2s)-2-[(1-hydroxyethylidene)amino]-4-methyl-n-[(3s,6r,9s,12r,15r,18s,19r)-5,8,11,14,17-pentahydroxy-9-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-3-isopropyl-6,12,19-trimethyl-2-oxo-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-18-yl]pentanimidic acid

(2s)-2-[(1-hydroxyethylidene)amino]-4-methyl-n-[(3s,6r,9s,12r,15r,18s,19r)-5,8,11,14,17-pentahydroxy-9-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-3-isopropyl-6,12,19-trimethyl-2-oxo-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-18-yl]pentanimidic acid

C35H53N7O11 (747.3802868)


   

2-hydroxy-n-[(2s,5s,8s,13s,16r,17s)-6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]-3-[(hydroxymethylidene)amino]benzenecarboximidic acid

2-hydroxy-n-[(2s,5s,8s,13s,16r,17s)-6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]-3-[(hydroxymethylidene)amino]benzenecarboximidic acid

C37H53N3O13 (747.3578208)


   

2-({2-[2-({2-[(3-amino-10-chloro-1,2-dihydroxydecylidene)amino]-1-hydroxypropylidene}amino)-n,3-dimethylbutanamido]-1-hydroxy-3-(4-hydroxyphenyl)propylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

2-({2-[2-({2-[(3-amino-10-chloro-1,2-dihydroxydecylidene)amino]-1-hydroxypropylidene}amino)-n,3-dimethylbutanamido]-1-hydroxy-3-(4-hydroxyphenyl)propylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C37H54ClN5O9 (747.3609864)


   

15-benzyl-5,14,17,20-tetrahydroxy-12-[(4-hydroxyphenyl)methyl]-3-(1h-indol-3-ylmethyl)-1,4,10,13,16,19-hexaazatricyclo[19.3.0.0⁶,¹⁰]tetracosa-4,13,16,19-tetraene-2,11-dione

15-benzyl-5,14,17,20-tetrahydroxy-12-[(4-hydroxyphenyl)methyl]-3-(1h-indol-3-ylmethyl)-1,4,10,13,16,19-hexaazatricyclo[19.3.0.0⁶,¹⁰]tetracosa-4,13,16,19-tetraene-2,11-dione

C41H45N7O7 (747.3380300000001)


   

(2s)-2-[(1-hydroxyethylidene)amino]-4-methyl-n-[(3s,6r,9s,12r,15r,18s,19r)-5,8,11,14,17-pentahydroxy-6-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-3-isopropyl-9,12,19-trimethyl-2-oxo-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-18-yl]pentanimidic acid

(2s)-2-[(1-hydroxyethylidene)amino]-4-methyl-n-[(3s,6r,9s,12r,15r,18s,19r)-5,8,11,14,17-pentahydroxy-6-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-3-isopropyl-9,12,19-trimethyl-2-oxo-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-18-yl]pentanimidic acid

C35H53N7O11 (747.3802868)


   

n-(3-{3,6,9,12,15,18-hexahydroxy-14,17-bis[3-(n-hydroxyacetamido)propyl]-5,8-bis(hydroxymethyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl}propyl)-n-hydroxyacetamide

n-(3-{3,6,9,12,15,18-hexahydroxy-14,17-bis[3-(n-hydroxyacetamido)propyl]-5,8-bis(hydroxymethyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl}propyl)-n-hydroxyacetamide

C29H49N9O14 (747.3398814)


   

(21r)-21-hydroxy-1-{4-hydroxy-5-[(4-hydroxyphenyl)methyl]-2-oxopyrrol-3-yl}-2-methyl-22-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosane-1,11-dione

(21r)-21-hydroxy-1-{4-hydroxy-5-[(4-hydroxyphenyl)methyl]-2-oxopyrrol-3-yl}-2-methyl-22-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosane-1,11-dione

C40H61NO12 (747.4193546)