| Identification | Back Directory | [Name]
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[(3S)-3-hydroxydodecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid | [CAS]
72059-49-5 | [Synonyms]
(S)-3-Hydroxydodecanoyl-CoA
S-(3-hydroxydodecanoate)-CoA
Coenzyme A, S-(3-hydroxydodecanoate)
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[(3S)-3-hydroxydodecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid | [Molecular Formula]
C33H58N7O18P3S | [MOL File]
72059-49-5.mol | [Molecular Weight]
965.84 |
| Chemical Properties | Back Directory | [density ]
1.65±0.1 g/cm3(Predicted) | [pka]
1.16±0.50(Predicted) | [InChIKey]
ZVRQUHHCKXBEGU-LXIXEQKWSA-N | [SMILES]
SCCNC(=O)CCNC(=O)[C@H](OC(=O)C[C@@H](O)CCCCCCCCC)C(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](O)[C@@H]1OP(=O)(O)O)(C)C |
| Hazard Information | Back Directory | [Uses]
S-(3-Hydroxydodecanoate)-CoACoenzyme A, a Coenzyme A, is a metabolite that can be found or produced in E. coli (strain K12, MG1655)[1]. | [References]
[1] Antonio RV, et al. Analysis of in vivo substrate specificity of the PHA synthase from Ralstonia eutropha: formation of novel copolyesters in recombinant Escherichia coli. FEMS Microbiol Lett. 2000 Jan 1;182(1):111-7. DOI:10.1111/j.1574-6968.2000.tb08883.x |
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