Exact Mass: 1013.325888

Exact Mass Matches: 1013.325888

Found 22 metabolites which its exact mass value is equals to given mass value 1013.325888, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

trans-2-Enoyl-OPC6-CoA

{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(2E)-6-[(2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]hex-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C37H58N7O18P3S (1013.2771758)


trans-2-Enoyl-OPC6-CoA participates in alpha-linolenic acid metabolism. trans-2-Enoyl-OPC6-CoA is converted from OPC6-CoA via acyl-CoA oxidase [EC:1.3.3.6]. α-linolenic acid is a carboxylic acid with an 18-carbon chain and three cis double bonds. The first double bond is located at the third carbon from the n end. Thus, α-linolenic acid is a polyunsaturated n−3 (omega-3) fatty acid. It is an isomer of γ-linolenic acid, a polyunsaturated n−6 (omega-6) fatty acid. [HMDB] trans-2-Enoyl-OPC6-CoA participates in alpha-linolenic acid metabolism. trans-2-Enoyl-OPC6-CoA is converted from OPC6-CoA via acyl-CoA oxidase [EC:1.3.3.6]. α-linolenic acid is a carboxylic acid with an 18-carbon chain and three cis double bonds. The first double bond is located at the third carbon from the n end. Thus, α-linolenic acid is a polyunsaturated n−3 (omega-3) fatty acid. It is an isomer of γ-linolenic acid, a polyunsaturated n−6 (omega-6) fatty acid.

   

CoA 16:4;O

{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(2E)-6-[(2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]hex-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C37H58N7O18P3S (1013.2771758)


   
   
   
   

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-6-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hex-2-enethioate

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-6-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hex-2-enethioate

C37H58N7O18P3S (1013.2771758)


   
   
   

trans-2-Enoyl-OPC6-CoA; (Acyl-CoA); [M+H]+

trans-2-Enoyl-OPC6-CoA; (Acyl-CoA); [M+H]+

C37H58N7O18P3S (1013.2771758)


   
   
   
   

6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoyl-CoA

6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoyl-CoA

C37H58N7O18P3S (1013.2771758)


   

alpha-D-GlcpNAc-(1->2)-3,6-diPEA-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp

alpha-D-GlcpNAc-(1->2)-3,6-diPEA-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp

C32H61N3O29P2 (1013.2865836000001)


   

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[8-[(1R,2S)-2-hexylcyclopropyl]octanoylsulfanyl]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[8-[(1R,2S)-2-hexylcyclopropyl]octanoylsulfanyl]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate

C38H62N7O17P3S-4 (1013.3135592)


   

PubChem CID: 44237322; (Acyl-CoA); [M+H]+

PubChem CID: 44237322; (Acyl-CoA); [M+H]+

C37H58N7O18P3S (1013.2771758)


   

(11Z)-3-oxohexadecenoyl-CoA(4-)

(11Z)-3-oxohexadecenoyl-CoA(4-)

C37H58N7O18P3S (1013.2771758)


A monounsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (11Z)-3-oxohexadecenoyl-CoA; major species at pH 7.3.

   

(7Z)-3-oxohexadecenoyl-CoA(4-)

(7Z)-3-oxohexadecenoyl-CoA(4-)

C37H58N7O18P3S (1013.2771758)


A 3-oxo-fatty acyl CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (7Z)-3-oxohexadecenoyl-CoA; major species at pH 7.3.

   

(E)-isoheptadec-2-enoyl-CoA(4-)

(E)-isoheptadec-2-enoyl-CoA(4-)

C38H62N7O17P3S (1013.3135592)


A 2,3-trans-enoyl CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (E)-isoheptadec-2-enoyl-CoA.

   

(9Z)-heptadecenoyl-CoA(4-)

(9Z)-heptadecenoyl-CoA(4-)

C38H62N7O17P3S (1013.3135592)


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z)-heptadecenoyl-CoA.

   

trans-2-heptadecenoyl-CoA(4-)

trans-2-heptadecenoyl-CoA(4-)

C38H62N7O17P3S (1013.3135592)


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of trans-2-heptadecenoyl-CoA; major species at pH 7.3.

   

(2s)-n-[(2r,6s,9s,12s,16s,19e)-6-[(2s)-butan-2-yl]-8,11,15,18-tetrahydroxy-2-[(4-hydroxyphenyl)methyl]-4,5-dioxo-9-propyl-16-(sulfomethyl)-23-thia-3,7,10,14,17,24-hexaazabicyclo[19.2.1]tetracosa-1(24),7,10,14,17,19,21-heptaen-12-yl]-2-[(2-{[(2,5-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]propanimidic acid

(2s)-n-[(2r,6s,9s,12s,16s,19e)-6-[(2s)-butan-2-yl]-8,11,15,18-tetrahydroxy-2-[(4-hydroxyphenyl)methyl]-4,5-dioxo-9-propyl-16-(sulfomethyl)-23-thia-3,7,10,14,17,24-hexaazabicyclo[19.2.1]tetracosa-1(24),7,10,14,17,19,21-heptaen-12-yl]-2-[(2-{[(2,5-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]propanimidic acid

C44H55N9O15S2 (1013.325888)