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  2. 1716-06-9
Coenzyme A, S-(9Z)-9-octadecenoate | 1716-06-9
1716-06-9

Nome do produto：Coenzyme A, S-(9Z)-9-octadecenoate

N.o CAS：1716-06-9
MF：C39H68N7O17P3S
MW：1031.98
CID：145520
ID PubChem：5497111
Inquérito Fornecimento
Nomes e Identificadores
  • Coenzyme A,S-(9Z)-9-octadecenoate
  • OLEOYL COENZYME A POTASSIUM SALT
  • (9Z)-octadec-9-enoyl-CoA
  • < U-14C> -Oleyl-CoA
  • cis-9-Octadecenoyl-CoA
  • Oleoyl-coenzyme A
  • Oleyl coenzyme A
  • 油酰基辅酶A
  • S-octadec-9c-enoyl-coenzyme-A
  • S-oleoyl-CoA
  • S-oleoylcoenzyme A
  • Oleoyl-CoA
  • Einecs 216-998-8
  • OLEOYL COENZYME A
  • CIS-9-OCTADECENOYL COENZYME A
  • Coenzyme A (Z)-S-9-octadecenoate
  • Oleoyl coenzyme A dipotassium salt
  • coenzyme A oleoyl derivative, dihydrate
  • CIS-9-OCTADECENOYL COENZYME A POTASSIUM SALT
  • cis-9-Octadecenoyl-CoA
  • Oleyl-CoA
  • Oleyl coenzyme A
  • Oleoyl-CoA
  • Oleoyl coenzyme A
  • Coenzyme A oleate
  • Coenzyme A cis-9-octadecenoate
  • 9-Octadecenoyl-coenzyme A
  • 9-Octadecenoyl-CoA
  • Coenzyme A, S-oleate (7CI,8CI)
  • Coenzyme A, S-9-octadecenoate, (Z)-
  • Coenzyme A, S-(9Z)-9-octadecenoate
  • cis-9-octadecenoyl-coenzyme A
  • cis-Delta(9)-octadecenoyl-CoA
  • S-[(9Z)-octadec-9-enoyl]-coenzyme A
  • Coenzyme A cis-9-octadecenoate
  • UNII-SPV646A327
  • BDBM27948
  • (9Z)-Octadecenoyl-CoA
  • (9Z)-Octadecenoyl-CoA
  • S-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]-3,5,9-Trihydroxy-8,8-Dimethyl-3,5-Dioxido-10,14-Dioxo-2,4,6-Trioxa-11,15-Diaza-3lambda~5~,5lambda~5~-Diphosphaheptadecan-17-Yl} (9z)-Octadec-9-Enethioate (Non-Preferred Name)
  • Coenzyme A, S-(9Z)-9-octadecenoate (9CI)
  • o-beta-D-ribofuranosyl]-
  • Coenzyme A, S-oleate
  • 18:1, oleoyl-CoA 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(9Z)-1-oxo-9-octadecenyl]thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphon
  • 18:1, oleoyl-CoA 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(9Z)-1-oxo-9-octadecenyl]thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphon
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
  • SPV646A327
  • SPV646A327
  • LMFA07050356
  • LMFA07050356
  • C39H68N7O17P3S
  • C39H68N7O17P3S
  • Oleoyl coenzyme A
  • Oleoyl coenzyme A
  • C00510
  • C00510
  • Oleoyl CoA
  • Oleoyl CoA
  • [14C] oleoyl coenzyme A
  • [14C] oleoyl coenzyme A
  • Coenzyme A oleate
  • Coenzyme A oleate
  • coenzyme A, oleoyl-
  • coenzyme A, oleoyl-
  • 9-Octadecenoyl-coenzyme A
  • 9-Octadecenoyl-coenzyme A
  • D05HXE
  • D05HXE
  • Cis-9-octadecenoyl coenzyme a potassium salt
  • Cis-9-octadecenoyl coenzyme a potassium salt
  • D05HXE
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • Cis-9-octadecenoyl coenzyme a potassium salt
  • oleoyl-CoA
  • oleoyl-CoA
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • 3VV
  • 3VV
  • oleoyl-CoA
  • cis-Delta(9)-octadecenoyl-coenzyme A
  • cis-Delta(9)-octadecenoyl-coenzyme A
  • 3VV
  • 1716-06-9
  • 1716-06-9
  • cis-Delta(9)-octadecenoyl-coenzyme A
  • S-[(9Z)-octadec-9-enoyl]-CoA
  • S-[(9Z)-octadec-9-enoyl]-CoA
  • 1716-06-9
  • CHEBI:15534
  • CHEBI:15534
  • S-[(9Z)-octadec-9-enoyl]-CoA
  • [14C]Oleyl-CoA
  • [14C]Oleyl-CoA
  • CHEBI:15534
  • DTXSID601318533
  • DTXSID601318533
  • [14C]Oleyl-CoA
  • 9-Octadecenoyl-CoA
  • 9-Octadecenoyl-CoA
  • Coenzyme A, S-oleate (7CI,8CI)
  • Coenzyme A, S-oleate (7CI,8CI)
  • DTXSID601318533
  • Octadecenoyl-CoA (n-C18:1CoA)
  • Octadecenoyl-CoA (n-C18:1CoA)
  • 9-Octadecenoyl-CoA
  • Oleoyl coenzyme A lithium salt
  • Oleoyl coenzyme A lithium salt
  • Coenzyme A, S-oleate (7CI,8CI)
  • J-012171
  • Octadecenoyl-CoA (n-C18:1CoA)
  • J-012171
  • Q27088172
  • Oleoyl coenzyme A lithium salt
  • Q27088172
  • EINECS 216-998-8
  • J-012171
  • EINECS 216-998-8
  • Q27088172
  • C39-H68-N7-O17-P3-S
  • EINECS 216-998-8
  • C39-H68-N7-O17-P3-S
  • GTPL2386
  • C39-H68-N7-O17-P3-S
  • GTPL2386
  • 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] (Z)-octadec-9-enethioate
  • GTPL2386
  • 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] (Z)-octadec-9-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] (Z)-octadec-9-enethioate
  • [14C]oleoyl-CoA
  • [14C]oleoyl-CoA
  • [14C]oleoyl-CoA
  • S-Oleoylcoenzyme A
  • S-Oleoylcoenzyme A
  • S-Oleoylcoenzyme A
  • (9Z)-octadec-9-enoyl-coenzyme A
  • (9Z)-octadec-9-enoyl-coenzyme A
  • (9Z)-octadec-9-enoyl-coenzyme A
  • Oleyl-CoA
  • CS-0032765
  • HY-109591
  • cis-9-octadecenoyl-coenzyme A(4-)
  • cis-9-octadecenoyl-CoA(4-)
  • (9Z)-octadec-9-enoyl-CoA(4-)
  • oleoyl-coenzyme A(4-)
  • 4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethyl-N-(2-((2-((9Z)-octadec-9-enoylsulphanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)butanimidate
  • 4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethyl-N-(2-((2-((9Z)-octadec-9-enoylsulphanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)butanimidate
  • 4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethyl-N-(2-((2-((9Z)-octadec-9-enoylsulfanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)butanimidate
  • 4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethyl-N-(2-((2-((9Z)-octadec-9-enoylsulfanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)butanimidate
  • 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
  • 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
  • 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate
  • 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate
  • 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate
  • 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate
  • 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) (Z)-octadec-9-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) (Z)-octadec-9-enethioate
  • 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-((3-((2-(((9Z)-octadec-9-enoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-4-oxobutyl) dihydrogen diphosphate)
  • 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-((3-((2-(((9Z)-octadec-9-enoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-4-oxobutyl) dihydrogen diphosphate)
  • oleyl-coenzyme A
  • oleyl-coenzyme A
  • 18:1 cis-9
  • 18:1 cis-9
  • 9H-purin-6-amine,
  • 9H-purin-6-amine,
  • cis-octadec-9-enoyl-CoA
  • cis-octadec-9-enoyl-CoA
  • S-((9Z)-octadec-9-enoyl)-CoA
  • S-((9Z)-octadec-9-enoyl)-CoA
  • cis-9-Octadecenoyl coenzyme A
  • cis-9-Octadecenoyl coenzyme A
  • S-((9Z)-octadec-9-enoyl)-coenzyme A
  • S-((9Z)-octadec-9-enoyl)-coenzyme A
  • 4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethyl-N-(2-((2-((9Z)-octadec-9-enoylsulphanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)butanimidic acid
  • 4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethyl-N-(2-((2-((9Z)-octadec-9-enoylsulphanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)butanimidic acid
  • (9Z)-octadecenoyl-CoA
  • (9Z)-octadecenoyl-CoA
  • cis-9-octadecenoyl-CoA
  • cis-9-octadecenoyl-CoA
  • InChIKey：XDUHQPOXLUAVEE-BPMMELMSSA-N
  • Inchi：InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1
  • SMILES：CCCCCCCC/C=C\CCCCCCCC(SCCNC(CCNC([C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C=NC3C(=NC=NC2=3)N)[C@H](O)[C@@H]1OP(=O)(O)O)(O)=O)(O)=O)(C)C)O)=O)=O)=O
Propriedades químicas e físicas

Propriedades Computadas

  • Massa Exacta: 1031.36094
  • Contagem de dadores de ligações de hidrogénio: 9
  • Contagem de aceitadores de ligações de hidrogénio: 22
  • Contagem de Ligações Rotativas: 35
  • Massa monoisotópica: 1031.36052589g/mol
  • Contagem de Átomos Pesados: 67
  • Complexidade: 1700
  • Contagem de átomos isótopos: 0
  • Contagem de Estereocentros Átomos Definidos: 5
  • Contagem de Estereocentros Átomos Indefinidos: 0
  • Contagem de Stereocenters de Obrigações Definidas: 1
  • Contagem de Stereocenters Indefined Bond: 0
  • Contagem de Unidades Ligadas Covalentemente: 1
  • XLogP3: 1.8
  • Superfície polar topológica: 389Ų

Propriedades Experimentais

  • PSA: 363.63
Circuito Sintético

Circuito Sintético 1

85-61-0
85-61-0
add
112-80-1
112-80-1
>
1716-06-9
1716-06-9
Condições de reacção
1.1
Referência
A Novel Paradigm of Fatty Acid β-Oxidation Exemplified by the Thioesterase-Dependent Partial Degradation of Conjugated Linoleic Acid That Fully Supports Growth of Escherichia coli
By Nie, Lina et al, Biochemistry, 2008, 47(36), 9618-9626

Circuito Sintético 2

112-80-1
112-80-1
add
85-61-0
85-61-0
>
1716-06-9
1716-06-9
Condições de reacção
1.1R:R:MgCl2, R:R:C:9013-18-7, S:H2O, 15 min, 30°C, pH 7.5
1.2R:AcOH, S:H2O
Referência
Promiscuous Fatty Acyl CoA Ligases Produce Acyl-CoA and Acyl-SNAC Precursors for Polyketide Biosynthesis
By Arora, Pooja et al, Journal of the American Chemical Society, 2005, 127(26), 9388-9389
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