Chemical structure of CAS 42578-91-6

3-Hydroxyoctadecanoyl-CoA

CAS No.42578-91-6
MDL No.N/A
MFC39H70N7O18P3S
MW1050.00
InChI KeyWZMAIEGYXCOYSH-FWBOWLIOSA-N

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Product Information

3-Hydroxyoctadecanoyl-CoA is a 3-hydroxy fatty acyl-CoA formed by the condensation of coenzyme A's thiol group with the carboxyl group of 3-hydroxyoctadecanoic acid. It functions as a conjugate acid of 3-hydroxyoctadecanoyl-CoA(4-), and is present in human, Saccharomyces cerevisiae, Escherichia coli, and mouse metabolomes. It is classified as a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA, and is functionally related to 3-hydroxyoctadecanoic acid.

CAS No.42578-91-6
Product Name3-Hydroxyoctadecanoyl-CoA
Heavy Atom Count68Rotatable Bond Count35
Atom Stereo Count8Bond Stereo Count0
HBA20HBD10
TPSA383.860 ŲCharge0
Exact Mass1049.37109Complexity2032.13
pKa4.180XLogP3.897