Products 1246036-79-2

CAS 1246036-79-2 is the registry number for (S)-3-Hydroxyoctadecanoyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(S)-3-hydroxyoctadecanoyl-CoA is a 3-hydroxyoctadecanoyl-CoA. It is functionally related to a (S)-3-hydroxyoctadecanoic acid. It is a conjugate acid of a (3S)-3-hydroxyoctadecanoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC39H70N7O18P3S
Molecular weight1050.0 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-hydroxyoctadecanethioate
InChIKeyWZMAIEGYXCOYSH-SFKGBVSGSA-N
SMILESCCCCCCCCCCCCCCC[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)