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Coenzyme A, S-(9Z)-9-octadecenoate | 1716-06-9
Productnaam:Coenzyme A, S-(9Z)-9-octadecenoate
CAS-nummer:1716-06-9
MF:C39H68N7O17P3S
CID:145520
PubChem ID:5497111
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Naam en identificatie
- 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
- S-[(9Z)-octadec-9-enoyl]-coenzyme A
- Coenzyme A cis-9-octadecenoate
- Coenzyme A cis-9-octadecenoate
- UNII-SPV646A327
- UNII-SPV646A327
- BDBM27948
- 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)
- 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)
- Coenzyme A, S-(9Z)-9-octadecenoate (9CI)
- o-beta-D-ribofuranosyl]-
- o-beta-D-ribofuranosyl]-
- Coenzyme A, S-oleate
- 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}
- 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
- SPV646A327
- 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
- LMFA07050356
- SPV646A327
- LMFA07050356
- C39H68N7O17P3S
- LMFA07050356
- C39H68N7O17P3S
- Oleoyl coenzyme A
- C39H68N7O17P3S
- Oleoyl coenzyme A
- C00510
- Oleoyl coenzyme A
- C00510
- Oleoyl CoA
- C00510
- Oleoyl CoA
- [14C] oleoyl coenzyme A
- Oleoyl CoA
- [14C] oleoyl coenzyme A
- Coenzyme A oleate
- [14C] oleoyl coenzyme A
- Coenzyme A oleate
- coenzyme A, oleoyl-
- coenzyme A, oleoyl-
- Coenzyme A oleate
- 9-Octadecenoyl-coenzyme A
- 9-Octadecenoyl-coenzyme A
- coenzyme A, oleoyl-
- D05HXE
- D05HXE
- 9-Octadecenoyl-coenzyme A
- 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
- D05HXE
- Cis-9-octadecenoyl coenzyme a potassium salt
- oleoyl-CoA
- oleoyl-CoA
- Cis-9-octadecenoyl coenzyme a potassium salt
- {[(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
- {[(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
- oleoyl-CoA
- cis-Delta(9)-octadecenoyl-coenzyme A
- cis-Delta(9)-octadecenoyl-coenzyme A
- oleoyl-CoA
- 3VV
- 1716-06-9
- 1716-06-9
- 3VV
- cis-Delta(9)-octadecenoyl-coenzyme A
- 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
- 1716-06-9
- S-[(9Z)-octadec-9-enoyl]-CoA
- [14C]Oleyl-CoA
- [14C]Oleyl-CoA
- S-[(9Z)-octadec-9-enoyl]-CoA
- CHEBI:15534
- DTXSID601318533
- DTXSID601318533
- CHEBI:15534
- [14C]Oleyl-CoA
- 9-Octadecenoyl-CoA
- 9-Octadecenoyl-CoA
- [14C]Oleyl-CoA
- Coenzyme A, S-oleate (7CI,8CI)
- Coenzyme A, S-oleate (7CI,8CI)
- DTXSID601318533
- Octadecenoyl-CoA (n-C18:1CoA)
- DTXSID601318533
- Octadecenoyl-CoA (n-C18:1CoA)
- 9-Octadecenoyl-CoA
- Oleoyl coenzyme A lithium salt
- Oleoyl coenzyme A lithium salt
- Coenzyme A, S-oleate (7CI,8CI)
- 9-Octadecenoyl-CoA
- J-012171
- Octadecenoyl-CoA (n-C18:1CoA)
- J-012171
- Coenzyme A, S-oleate (7CI,8CI)
- Q27088172
- Oleoyl coenzyme A lithium salt
- Q27088172
- EINECS 216-998-8
- J-012171
- Octadecenoyl-CoA (n-C18:1CoA)
- EINECS 216-998-8
- Q27088172
- Oleoyl coenzyme A lithium salt
- C39-H68-N7-O17-P3-S
- EINECS 216-998-8
- C39-H68-N7-O17-P3-S
- J-012171
- GTPL2386
- C39-H68-N7-O17-P3-S
- GTPL2386
- Q27088172
- 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
- EINECS 216-998-8
- 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
- C39-H68-N7-O17-P3-S
- [14C]oleoyl-CoA
- [14C]oleoyl-CoA
- S-Oleoylcoenzyme A
- S-Oleoylcoenzyme A
- S-Oleoylcoenzyme A
- GTPL2386
- (9Z)-octadec-9-enoyl-coenzyme A
- (9Z)-octadec-9-enoyl-coenzyme A
- (9Z)-octadec-9-enoyl-coenzyme A
- 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
- S-Oleoylcoenzyme A
- (9Z)-octadec-9-enoyl-coenzyme A
- Oleyl-CoA
- cis-9-Octadecenoyl coenzyme A
- CS-0032765
- HY-109591
- cis-9-octadecenoyl-coenzyme A(4-)
- (9Z)-octadecenoyl-CoA
- cis-9-octadecenoyl-CoA(4-)
- (9Z)-octadec-9-enoyl-CoA(4-)
- cis-9-octadecenoyl-CoA
- oleoyl-coenzyme A(4-)
- 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
Chemische en fysische eigenschappen
Berekende eigenschappen
- Exacte massa: 1031.36094
- Aantal waterstofbonddonors: 9
- Aantal waterstofbondacceptatoren: 22
- Aantal draaibare bindingen: 35
- Monoisotopische massa: 1031.36052589g/mol
- Zware atoomtelling: 67
- Complexiteit: 1700
- Aantal isotopen atomen: 0
- Gedefinieerd atoomstereocentrumaantal: 5
- Ongedefinieerd atoomstereocentrumaantal: 0
- Gedefinieerd stereocenter aantal obligaties: 1
- Ongedefinieerd stereocenter aantal bindingen: 0
- Aantal covalent gebonden eenheden: 1
- XLogP3: 1.8
- Topologisch pooloppervlak: 389Ų
Experimentele eigenschappen
- PSA: 363.63
Synthetisch circuit
Synthetisch circuit 1
Reactievoorwaarden
Referentie
- 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, Biochemistry, 2008, 47(36), 9618-9626
Synthetisch circuit 2
Reactievoorwaarden
1.1R:R:MgCl2, R:R:C:9013-18-7, S:H2O, 15 min, 30°C, pH 7.5
1.2R:AcOH, S:H2O
1.2R:AcOH, S:H2O
Referentie
- Promiscuous Fatty Acyl CoA Ligases Produce Acyl-CoA and Acyl-SNAC Precursors for Polyketide Biosynthesis, Journal of the American Chemical Society, 2005, 127(26), 9388-9389
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