Indian Journal of Biochemistry & Biophysics

Vol. 51, February 2014, pp. 52-57

New mathematical derivations for calculation of ATP yield due to the complete
oxidation of different types of fatty acids
Banda Venkat Reddy1, Bommena Rajendra Prasad2, Sukesh Narayan Sinha1* and Noor Ahmed1
1
Pesticide Laboratory, Food and Drugs Toxicology Research Centre, National Institute of Nutrition, Tarnaka, Jamai Osmania,
Hyderabad, 500007, A P, India
2
Department of Botany, University College of Science, Osmania University, Saifabad, Hyderabad-500004, AP, India

Received 01 May 2013; revised 02 January 2014

During the complete oxidation of fatty acids, the electrons removed from fatty acids in different forms (FADH2 and
NADH2) pass through the respiratory chain, driving the ATP synthesis. Generally, the ATP yield due to the complete
oxidation of fatty acids is calculated by sum total the ATPs obtained due to the oxidation of FADH2 and NADH2 due to lack
of any particular method. This calculation is simple for saturated even numbered fatty acids, but in the case of saturated and
unsaturated odd numbered fatty acids the calculation of ATP yield is difficult and needs mathematical calculations due to
some changes in their -oxidation pathway when compared to the pathway of saturated even numbered fatty acids. These
calculations are made simple by our derivations and following formulae where we require only number of carbon atoms and
double bonds present in a fatty acid. Our method is superior and easier in comparison to long mathematical calculations that
are in the practice.

C D
TSE = , TSO = , TUE = , TUO =

Keywords: Fatty acids, Respiratory chain, -Oxidation

Fatty acids are carboxylic acids with hydrocarbon
chains ranging from 4 to 36 carbons (C4 to C36)1,2.
They are fuel molecules and are stored as
free fatty acids. Fatty acids derived from
*Corresponding author
E-mail: sukeshnr_sinha@yahoo.com
Tel: 1-40 -27018405; Fax: 91-40 -27019074; Mob: 9502140146
Abbreviations: A, number of acetyl-CoAs; AMP, adenosine
monophosphate; A(ATP), total number of ATP produced due to
acetyl-CoA; ATP, adenosine tri phosphate; C, number of carbon
atoms in a given fatty acid; D, number of double bonds in a given
fatty acid; F, number of FADH2; FADH2, flavin adenine
dinucleotide; F(ATP), total number of ATP produced due to FADH2;
N, number of NADH2; NADH2, nicotinamide adenine dinucleotide;
N(ATP), total number of ATP produced due to NADH+H+ or
NADH2; NSE, net ATP yield by oxidation of saturated even
numbered fatty acid; NSO, net ATP yield by oxidation of saturated
odd numbered fatty acid; Nt, Net ATP yield; NUE, net ATP yield by
oxidation of unsaturated even numbered fatty acid; NUO, net ATP
yield by oxidation of unsaturated odd numbered fatty acid; PPi,
pyrophosphate; R, number of rounds of -oxidation; T(ATP), total
number of ATP produced; TCA, tricarboxylic acid cycle; TSE, total
ATP yield by oxidation of saturated even numbered fatty acid; TSO,
total ATP yield by oxidation of saturated odd numbered fatty acid;
TUE, total ATP yield by oxidation of unsaturated even numbered
fatty acid; TUO, total ATP yield by oxidation of unsaturated odd
numbered fatty acid.
triacylglycerols (also called neutral fats or
triglycerides), which are uncharged esters of fatty
acids with glycerol. Lipase converts triglycerides into
triacylglycerols are oxidized to meet the energy needs
of a cell or an organism. Generally, the yield from the
complete oxidation of one gram of fat is 9 kcal g-1
(38 kJ g-1) in comparison to 4 kcal g-1 (17 kJ g-1) for
carbohydrates and proteins. The oxidation of long-
chain fatty acids to acetyl-CoA is a central
energy-yielding pathway in many organisms and
tissues. In mammalian heart and liver, for example, it
provides as much as 80% of the energy needs under
all physiological circumstances. The complete
oxidation of any fatty acid (e.g palmitic acid) to CO2
and H2O takes place in three stages: the oxidation of
fatty acid to two-carbon fragments in the form of
acetyl-CoA (-oxidation3), the oxidation of acetyl-
CoA to CO2 and production of FADH2 and NADH2 in
the citric acid cycle4,5, and the transfer of electrons
from reduced electron carriers FADH2 and NADH2
to the mitochondrial respiratory chain6-8, resulting
into the ATPs.
 INDIAN J. BIOCHEM. BIOPHYS., VOL 51, FEBRUARY 2014 53

Generally, the total ATP yield due to the complete For saturated odd numbered fatty acids
oxidation of fatty acids (e.g. palmitic acid) is
calculated by using the classical procedure9,10 as given TSO = (3)
in the following steps. Palmitic acid (16:0) undergoes
-oxidation and gives the following products as
shown in the following equation. NSO = (4)
Palmitic acid (16:0) + 8 Coenzyme A + 7 FAD+ + 7
NAD+ + ATP 8 CH3CO-SCoA (Acetyl-CoA) + 7 For unsaturated even numbered fatty acids
FADH2 + 7 (NADH + H+ ) + AMP + PPi TUE = (5)
If one acetyl-CoA involved in TCA cycle gives =
10 ATPs
ATPs due to 8 acetyl-CoA = 8 10 = 80 ATPs NUE = (6)
ATPs due to 7 FADH2 = 1.5 7 = 10.5 For unsaturated odd numbered fatty acids
+
ATPs due to 7 (NADH + H ) = 2.5 7 = 17.5
C D
Total no. of ATPs produced = 108 TUO = (7)
During the initiation of the -oxidation pathway an
ATP converts into an AMP and PPi for the activation C D
of fatty acid. NUO = ... (8)
So, net ATPs produced = 108-2 = 106
Derivations
These calculations assume that mitochondrial
oxidative phosphorylation produces 1.5 ATP/ FADH2 For saturated even numbered fatty acids
oxidized and 2.5 ATP/NADH2 oxidized11. The GTP If any saturated even numbered fatty acid with "C"
produced directly in the TCA cycle yields ATP in the number of carbon atoms undergoes -oxidation, it
reaction catalyzed by nucleoside diphosphate kinase11. requires (C-2)/2 rounds of -oxidation for its
This calculation is simple for saturated even complete cleavage as shown below.
numbered fatty acids, but in the case of unsaturated FattyAcid (C) + [(C-2)/2]FAD+ + [(C-2)/2]NAD+
and odd numbered fatty acids, the calculation of ATP
yield is difficult due to some changes in their + [C/2]HSCoA+ ATP
-oxidation pathway (Figs 1 & 2) [C/2]Acetyl-CoA + [(C-2)/2]FADH2 +
We have derived the following mathematical [(C-3)/2](NADH+ H+) + AMP + PPi
formulae given below for the same calculation for For initiation of -oxidation pathway, an ATP
different types (saturated, unsaturated, even numbered converts into AMP and PPi for the activation of fatty
and odd numbered) of fatty acids. The main objective acid.
of these derivations is to simplify the calculations for
ATP yield due to the oxidation of fatty acids, No. of carbon atoms in a fatty acid = C
especially long chain odd numbered and very long No. of rounds of -oxidation = R = (a)
chain unsaturated fatty acids e.g. hexatriacontaoctaenoic
acid, tetracosahexaenoic acid (C24:6) and No. of acetyl-CoA produced = (b)
tricosahexaenoic acid (C23:6). Irrespective of their
length the ATP yield can be calculated easily using No. of FADH2 produced = F = R = (c)
our formulae than the old procedure9.
No. of NADH2 produced = N = R = (d)
For saturated even numbered fatty acids
Each acetyl-CoA gives 10 ATPs by undergoing
TSE = , (1) TCA cycle.
Then, total no. of ATP produced due to acetyl-CoA =
NSE = (2) AATP = 10 (1b)
54 REDDY et al.: NEW MATHEMATICAL DERIVATIONS FOR CALCULATION OF ATP YIELD

Total no. of ATPs produced due to FADH2

= FATP = 1.5 (1c)
Total no. of ATPs produced due to NADH2
= NATP = 2.5 (1d)
From the above equations 1b, 1c, 1d
Total no. of ATPs = TATP = AATP + FATP + NATP

TATP = 10 " # + 1.5 " # + 2.5( )

) .* .* *
= + +

) + .* + .*
=

TSE = (1)
During initiation of -oxidation pathway, an ATP
converts into an AMP and PPi for the activation of
fatty acid.
So, net ATPs produced

= N, = " #2

NSE = " # (2)

Fig. 1Steps in -oxidation of odd numbered saturated fatty acid

By using formula T(SE) = , we can easily No. of rounds of -oxidation = R

calculate total ATP yield on the complete oxidation of No. of rounds of -oxidation = R = (a)
palmitic acid.
C
The no. of carbon atoms in palmitic acid, C = 16 No. of acetyl-CoA= A = (b)
C / C
TSE = = = 108 123 No. of FADH2 = F = (c)
C
No. of NADH2 = N = (d)
Net ATP yield is =
No. of propionyl CoA = P = 1[constant] (e)
/
Nt = = 106 If proionyl-CoA undergoes TCA cycle it gives
FADH2, NADH2, GTP(ATP)
For saturated odd numbered fatty acids (Fig. 1)
Assume any saturated odd numbered fatty acid The resultant FADH2, NADH2 undergo respiratory
with "C" number of carbon atoms undergoes chain and give 5ATPs as product
C
[(C-3)/2] rounds of -oxidation for its complete The ATPs due to acetyl-CoA = A(ATP) = 10[ ] (2b)
cleavage, at the end it gives 1 ropionyl CoA* +
[(C-3)/2]Acetyl-CoA + [(C-3)/2]FADH2 + C
The ATPs due to FADH2 = FATP = 1.5 [ ] (2c)
[(C-3)/2]NADH2
C
* = Irrespective of the number of carbon atoms in The ATPs due to NADH2 = NATP = 2.5[ ] (2d)
an odd numbered fatty acid it gives only one
propionyl CoA at the end of the -oxidation pathway. The ATPs due to propionyl CoA = PATP = 5 (2e)
 INDIAN J. BIOCHEM. BIOPHYS., VOL 51, FEBRUARY 2014 55

From above equations 2b, 2c, 2d, 2e

TATP = AATP + FATP + NATP + PATP

2789 = 10 " # + 1.5 " # + 2.5 " #+

5
)C + .* C + .* C ) .* :.* + )
=
)
=
C
TSO = (3)
For the activation of fatty acid an ATP converts
into an AMP and PPi and one more ATP consumes
for the conversion of propionyl CoA to succinyl CoA
to involve into the TCA cycle
So,
C /
;< = = >3 = =
C
NSO = (4)
e.g. If heptadecanoic acid (17:0) undergoes
-oxidation the ATP yield is
:
2789 = = = = =
103
For unsaturated even numbered fatty acids12 (Fig. 2)
If any unsaturated even numbered fatty acid with
"C" number of carbon atoms undergoes [(C-2)/2] Fig. 2Steps in -oxidation of even numbered unsaturated fatty
rounds of -oxidation for its complete cleavage, then acid
at the end it gives Total no. of ATPs produced due to FADH2 = FATP
[ ] acetyl-CoA + [ @ ]FADH2 + = 1.5[ ] (3c)
[ ]NADH2 . Total no. of ATPs produced due to NADH2 = NATP
= 2.5 (3d)
No. of carbon atoms in a fatty acid = C
From the above equations 3b, 3c', 3d
No. of rounds of -oxidation = R = (a)
Total no. of ATPs = TATP = AATP + FATP + NATP
No. of acetyl-CoA produced = (b)
TATP = 10 ( ) + 1.5 ( ) + 2.5 ( )
No. of FADH2 produced = F = @ (c) ) .* .* *
= + +
No. of NADH2 produced = N = R = (d)
) + .* + .* *
=
Each acetyl-CoA gives 10ATPs by undergoing TCA
cycle. TUE = (5)
Total no. of ATPs produced due to acetyl-CoA = AATP
For the activation of fatty acid, an ATP converts
= 10 (3b) into an AMP and PPi
56 REDDY et al.: NEW MATHEMATICAL DERIVATIONS FOR CALCULATION OF ATP YIELD

)C ) .*C .* D .*C :.*+ )

So net ATPs produced, Nt = " #2 = TATP = + +

TATP
NSE = (6) 10C + 1.5C + 2.5C 30 4.5 7.5 + 10 3D
=
2
e.g If palmitoleic acid (16:1) undergoes - 14C 3D 32
=
oxidation, the ATP yield is 2
/
T789 = = = = =
TUO =
C D
(7)
106.5
As in the case of saturated odd numbered fatty
For unsaturated odd numbered fatty acids12 acid. For activation of fatty acid an ATP converts into
(Figs 1 & 2) an AMP and PPi and one more ATP consumes for
If any unsaturated odd numbered fatty acid conversion of propionyl-CoA to succinyl-CoA to
with "C" number of carbon atoms and "D" number involve into the TCA cycle.
of double bonds undergoes (C-3)/2 rounds of C D
So, net ATPS NUO = (8)
-oxidation for its complete cleavage, then at the end
the products are e.g If heptadacenoic acid (17:1) undergoes
-oxidation, the ATP yield is
[ ] Acetyl-CoA+ {A B @ } FADH2 + [ ]
C D
NADH2. + 1 propionyl CoA T789 =
: * )
No. of rounds of C-oxidation = R = (a) T789 = = = = 101.5

No. of acetyl-CoA= A = (b) The calculation of ATP yield due to the complete
oxidation of long chain unsaturated fatty acids
[heptadacenoic acid (17:1)] involves laborious
No. of FADH2 = F = A B@ = (c') calculations as there is no specific method for
quantification, but in our study we have derived
No. of NADH2 = N = (d) formulae which require only the number of carbon
atoms and double bonds present in a fatty acid,
No. of propionyl CoA = P = 1 (e)
reflecting that our method is superior, easier and
C
ATPs due to acetyl-CoA = AATP = 10[ ] (4b) time-saving.
C D
ATPs due to FADH2 = FATP = 1.5 [ Conclusion
] =
.*C .* D By using these formulae, we can easily calculate
(4c') ATP yield of different types of fatty acids on their
C .*C :.* complete oxidation, irrespective of their length and
ATPs due to NADH2 = NATP = 2.5 [ ] = (4d) unsaturation. The formula T = (14C-3D-8)/2 can
UE

If proionyl-CoA undergoes TCA cycle, it gives
FADH2, NADH2, GTP(ATP)
The resultant FADH2, NADH2 undergo respiratory
chain and give 5ATPs as product
ATPs due to propionyl-CoA = PATP = 5
From above equations 4b, 4c', 4d, 4e
TATP = AATP + FATP + NATP + PATP
C C D C
T789 = 10 A B + 1.5 A B + 2.5 A B + 5
also applied for both saturated and unsaturated even
numbered fatty acids acids by replacing D
with zero (0) for saturated fatty acids. Likewise, the
formula TUO = (14C-3D-32)/2 can be applied
for both saturated and unsaturated odd numbered
(4e) fatty acids. The derivations in the work can also
be applied even to -oxidation of branched chain
fatty acids.
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