Showing Metabocard for hexadecanoyl-CoA (BASm0002641)

Not AvailableNot AvailableNot Available
Common NameHexadecanoyl-coa
Descriptionhexadecanoyl-CoA belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Thus, hexadecanoyl-CoA is considered to be a fatty ester lipid molecule. hexadecanoyl-CoA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, hexadecanoyl-CoA has been detected, but not quantified in, several different foods, such as hedge mustards, swedes, nances, pak choy, and sacred lotus. This could make hexadecanoyl-CoA a potential biomarker for the consumption of these foods. Palmityl-CoA is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Molecular FormulaC37H66N7O17P3S
Average Mass1005.94000
Monoisotopic Mass1005.34490
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChI IdentifierInChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1
InChI KeyMNBKLUUYKPBKDU-BBECNAHFSA-N
CHEBI IDCHEBI:57379
State1
Water SolubilityNot Available
logSNot Available
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)Not Available
Hydrogen Acceptor CountNot Available
Hydrogen Donor CountNot Available
Rotatable Bond CountNot Available
Physiological ChargeNot Available
Formal ChargeNot Available
PolarizabilityNot Available

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