Products 950902-30-4

CAS 950902-30-4 is the registry number for (S)-3-Hydroxytetradecanoyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

(S)-3-hydroxytetradecanoyl-CoA is a long-chain (3S)-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxytetradecanoic acid. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is functionally related to a myristoyl-CoA and a (S)-3-hydroxytetradecanoic acid. It is a conjugate acid of a (S)-3-hydroxytetradecanoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC35H62N7O18P3S
Molecular weight993.9 g/mol
IUPAC nameS-[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] (3S)-3-hydroxytetradecanethioate
InChIKeyOXBHKMHNDGRDCZ-STLSENOWSA-N
SMILESCCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O

Computed by PubChem (NCBI)