Showing metabocard for Stearoyl-CoA (MMDBc0030338)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 00:04:09 UTC
Update Date2022-12-15 22:51:49 UTC
MiMeDB IDMMDBc0030338
Metabolite Identification
Common NameStearoyl-CoA
DescriptionStearoyl-CoA is derived from stearic acid, which is a saturated fatty acid consisting of 18 carbons. Stearoyl-CoA is a long-chain acyl CoA ester that acts as an intermediate metabolite in the biosynthesis of monounsaturated fatty acids. Stearoyl-CoA is converted into oleoyl-CoA and then used as a major substrate for the synthesis of various kinds of lipids including phospholipids, triglycerides, cholesteryl esters and wax esters. There is growing recognition that acyl-CoA esters could act as signaling molecules in cellular metabolism. (HMDB)
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76bb28fb8>

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3D MOL for #<Metabolite:0x000055b76bb28fb8>

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3D SDF for #<Metabolite:0x000055b76bb28fb8>

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3D-SDF for #<Metabolite:0x000055b76bb28fb8>

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PDB for #<Metabolite:0x000055b76bb28fb8>

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3D PDB for #<Metabolite:0x000055b76bb28fb8>

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SMILES for #<Metabolite:0x000055b76bb28fb8>

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INCHI for #<Metabolite:0x000055b76bb28fb8>

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SynonymsNot Available
Chemical FormulaC39H70N7O17P3S
Average Molecular Weight1033.996
Monoisotopic Molecular Weight1033.376174075
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number362-66-3
SMILESNot Available
InChI Identifier
InChI=1S/C39H70N7O17P3S/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/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34?,38-/m1/s1
InChI KeySIARJEKBADXQJG-KBEKLFCESA-N