Exact Mass: 636.3348093999999

Exact Mass Matches: 636.3348093999999

Found 243 metabolites which its exact mass value is equals to given mass value 636.3348093999999, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Ansatrienin A

C36H48N2O8 (636.3410488)

2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a

3-{11-ethyl-16-[1-(hexyloxy)ethyl]-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl}propanoic acid

C39H48N4O4 (636.3675367999999)

PA(8:0/PGF1alpha)

[(2R)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-3-(octanoyloxy)propoxy]phosphonic acid

C31H57O11P (636.3638301999999)

PA(8:0/PGF1alpha) 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(8:0/PGF1alpha), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of Prostaglandin F1alpha 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(PGF1alpha/8:0)

[(2R)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-2-(octanoyloxy)propoxy]phosphonic acid

C31H57O11P (636.3638301999999)

PA(PGF1alpha/8:0) 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(PGF1alpha/8:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of octanoyl 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).

[5-hydroxy-2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate

NCGC00384708-01![5-hydroxy-2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate

C30H52O14 (636.3356891999999)

UCF 116B

C36H48N2O8 (636.3410488)

Rescinnamidine

2,3-Dihydrorescinnamine

C35H44N2O9 (636.3046654)

Methylallosamidin

C26H44N4O14 (636.2853884)

Withanoside XI

(20R,22R)-1alpha,3beta,20,27-tetrahydroxywitha-5,24-dienolide 3-O-beta-D-glucopyranoside

C34H52O11 (636.3509442)

Coccinone D

C38H52O8 (636.3661992)

S4:17(P3:15/F1:2)

C29H48O15 (636.2993058)

Annotation level-3

1-Acetoxy-8,9-dibenzoyloxy-2-(2-methylbutanoyloxy)-6-hydroxydihydro-alpha-agarofuran

C36H44O10 (636.2934324)

3-O-(4-hydroxy-3-methoxybenzoyl)ceanothic acid|3-O-vanillylceanothic acid

C38H52O8 (636.3661992)

(-)-granjine|granjine

C39H44N2O6 (636.3199204)

symphonone D|symphonone E

C38H52O8 (636.3661992)

2,3-di-O-(5-methylheptanoyl)-6-O-acetylsucrose

C30H52O14 (636.3356891999999)

garcimultiflorone F|isogarcimultiflorone F

C38H52O8 (636.3661992)

3,4-Di-O-isobutyryl-6-O-caprylsucrose|6-O-capryl-3,4-di-O-isobutyrylsucrose|6-O-Decanoyl-3,4-di-O-isobutyrylsucrose

C30H52O14 (636.3356891999999)

gagunin P

C34H52O11 (636.3509442)

24,25-epoxy-7-acetoxy-11-tigloloxy-7alpha,11alpha-dihydroxy-14,18-cycloapotirucalla-1,20(22)-dien-3,4:20,23-diolide|simaroubin B

C37H48O9 (636.3298158)

C34H52O11

C34H52O11 (636.3509442)

dichrostachine G

C36H44O10 (636.2934324)

5alpha-4,5-dihydro-16beta-hydroxy-scillirosidin-3-O-alpha-L-thevetoside

C33H48O12 (636.3145608)

premyrsinol-3-propanoate-5-isobutyrate-7,13,17-triacetate

C33H48O12 (636.3145608)

Weinbersterol disulfate A|Weinbetsterol disulfate A

C30H52O10S2 (636.3001732)

C30H52O14

C30H52O14 (636.3356891999999)

3-O-(6-Deoxy-3-O-methyl-alpha-L-glucopyranoside),6-Ac-3,6,8,12,14-Pentahydroxybufa-20,22-dienolide|5alpha-4,5-dihydro-12beta-hydroxy-scillirosidin-3-O-alpha-L-thevetoside

C33H48O12 (636.3145608)

biselyngbyaside D

C34H52O11 (636.3509442)

biselyngbyaside C

C34H52O11 (636.3509442)

3-O-deacetyl-3-O-tigloylsalannin

C37H48O9 (636.3298158)

cylindrocyclophane C2

C36H54Cl2O5 (636.3348093999999)

2-{[5,7-dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)-8-butanoyl-6-chromenyl]-methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-butanoyl-2,5-cyclohexadien-1-one|crassipin B

C37H48O9 (636.3298158)

acutilonine G

C37H48O9 (636.3298158)

mandelalide D

C34H52O11 (636.3509442)

Cycleahomine

C39H44N2O6 (636.3199204)

18-hydroxygarcimultiflorone D

C38H52O8 (636.3661992)

pycnamine

C39H44N2O6 (636.3199204)

NSC29854

C35H44N2O9 (636.3046654)

20-ethyl-7-hydroxy-1alpha,14alpha,16beta,-trimethoxy-6-oxo-17(7->8)abeoaconitan-4ylmethyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate|septonine

C35H44N2O9 (636.3046654)

Daturataturin B

C34H52O11 (636.3509442)

Glucoallosamidin A

C26H44N4O14 (636.2853884)

1alpha,3beta,5alpha-trihydroxy-6alpha,7alpha-epoxy-22R-with-24-enolide 3-O-beta-D-glucopyranoside|withanoside I

C34H52O11 (636.3509442)

Aurantinin A

C38H52O8 (636.3661992)

C33H44N6O7

C33H44N6O7 (636.3271314000001)

Weinbetsterol disulfate B

C30H52O10S2 (636.3001732)

Ala Glu Gln Tyr Leu

C29H44N6O10 (636.3118764)

Val Phe Pro Phe Gln

C33H44N6O7 (636.3271314000001)

Leu Ile Tyr Thr Asn

C30H48N6O9 (636.3482597999999)

Pro Ile His Asp Arg

C27H44N10O8 (636.3343424000001)

2-acetyl-3-(2-methylbutanoyl)-3,4-di(3-methylbutanoyl)sucrose

C29H48O15 (636.2993058)

3,7,13,17-O-Tetraacetyl-5-O-(2-methylbutyryl)-14-oxopremyrsinol

C33H48O12 (636.3145608)

3-O-vanilloyl ceanothic acid

C38H52O8 (636.3661992)

3-O-protocatechuoyl ceanothic acid 2-methyl ester

C38H52O8 (636.3661992)

3-O-vanilloyl epiceanothic acid

C38H52O8 (636.3661992)

Legonoxamine A

C31H52N6O8 (636.3846432)

Glu Phe Arg Trp

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

C31H40N8O7 (636.3019810000001)

Glu Phe Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C31H40N8O7 (636.3019810000001)

Glu Arg Phe Trp

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

C31H40N8O7 (636.3019810000001)

Glu Arg Trp Phe

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

C31H40N8O7 (636.3019810000001)

Glu Trp Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C31H40N8O7 (636.3019810000001)

Glu Trp Arg Phe

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

C31H40N8O7 (636.3019810000001)

Phe Glu Arg Trp

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

C31H40N8O7 (636.3019810000001)

Phe Glu Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C31H40N8O7 (636.3019810000001)

Phe Arg Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C31H40N8O7 (636.3019810000001)

Phe Arg Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C31H40N8O7 (636.3019810000001)

Phe Val Trp Trp

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

C36H40N6O5 (636.306003)

Phe Trp Glu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid

C31H40N8O7 (636.3019810000001)

Phe Trp Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C31H40N8O7 (636.3019810000001)

Phe Trp Val Trp

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

C36H40N6O5 (636.306003)

Phe Trp Trp Val

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

C36H40N6O5 (636.306003)

Ile Arg Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid