The EAWAG-BBD Isooctane Pathway

• 4,4-Dimethyl-3-oxopentanal -----> 4,4-Dimethyl-3-oxopentanoate (reacID# r1309)
• 4,4-Dimethyl-3-oxopentanoate -----> 3,3-Dimethyl-2-butanone (reacID# r1280)
• 2,2-Dimethyl-3-pentanone -----> 1-Hydroxy-4,4-dimethylpentan-3-one (reacID# r1279)
• 1-Hydroxy-4,4-dimethylpentan-3-one -----> 4,4-Dimethyl-3-oxopentanal (reacID# r1308)
• Isooctane -----> 2,4,4-Trimethyl-1-pentanol (reacID# r1269)
• 2,4,4-Trimethyl-1-pentanol -----> 2,4,4-Trimethylpentanal (reacID# r1270)
• 2,4,4-Trimethyl-3-hydroxypentanoyl-CoA -----> 2,4,4-Trimethyl-3-oxopentanoyl-CoA (reacID# r1273)
• 2,4,4-Trimethyl-3-oxopentanoate -----> 2,2-Dimethyl-3-pentanone (reacID# r1278)
• 2,4,4-Trimethyl-3-oxopentanoyl-CoA -----> Propanoyl-CoA + Pivalyl-CoA (reacID# r1274)
• 2,4,4-Trimethyl-3-oxopentanoyl-CoA -----> 2,4,4-Trimethyl-3-oxopentanoate (reacID# r1307)
• 2,4,4-Trimethylpent-2-enoyl-CoA -----> 2,4,4-Trimethyl-3-hydroxypentanoyl-CoA (reacID# r1277)
• 2,4,4-Trimethylpentanal -----> 2,4,4-Trimethylpentanoate (reacID# r1275)
• 2,4,4-Trimethylpentanoate -----> 2,4,4-Trimethylpentanoyl-CoA (reacID# r1271)
• 2,4,4-Trimethylpentanoyl-CoA -----> 2,4,4-Trimethylpent-2-enoyl-CoA (reacID# r1276)

• 3,3-Dimethyl-2-butanone [75-97-8] (compID# c1100)
• 4,4-Dimethyl-3-oxopentanal [23459-13-4] (compID# c1143)
• 4,4-Dimethyl-3-oxopentanoate (compID# c1097)
• 2,2-Dimethyl-3-pentanone [564-04-5] (compID# c1096)
• 1-Hydroxy-4,4-dimethylpentan-3-one (compID# c1142)
• Isooctane [540-84-1] (compID# c1078)
• Pivalyl-CoA (compID# c0915)
• Propanoyl-CoA [317-66-8] (compID# c0363)
• 2,4,4-Trimethyl-1-pentanol [16325-63-6] (compID# c1079)
• 2,4,4-Trimethyl-3-hydroxypentanoyl-CoA (compID# c1140)
• 2,4,4-Trimethyl-3-oxopentanoate (compID# c1081)
• 2,4,4-Trimethyl-3-oxopentanoyl-CoA (compID# c1141)
• 2,4,4-Trimethylpent-2-enoyl-CoA (compID# c1108)
• 2,4,4-Trimethylpentanal (compID# c1092)
• 2,4,4-Trimethylpentanoate (compID# c1080)
• 2,4,4-Trimethylpentanoyl-CoA (compID# c1093)

• EC 1.1.-.- 2,4,4-trimethyl-1-pentanol dehydrogenase (enzymeID# e0816)
• EC 1.1.-.- 2,4,4-trimethyl-3-hydroxypentanoyl-CoA dehydrogenase (enzymeID# e0821)
• EC 1.1.-.- 1-hydroxy-4,4-dimethylpentan-3-one dehydrogenase (enzymeID# e0824)
• EC 1.2.-.- 2,4,4-trimethylpentanal dehydrogenase (enzymeID# e0817)
• EC 1.2.-.- 4,4-dimethyl-3-oxopentanal dehydrogenase (enzymeID# e0801)
• EC 1.3.-.- 2,4,4-trimethylpentanoyl-CoA dehydrogenase (enzymeID# e0819)
• EC 1.14.-.- pinacolone 5-monooxygenase (enzymeID# e0823)
• EC 1.14.-.- isooctane monooxygenase (enzymeID# e0795)
• EC 2.3.1.- 2,4,4-trimethyl-3-oxopentanoyl-CoA 2-C-propanoyl transferase (enzymeID# e0800)
• EC 3.1.2.- 2,4,4-trimethyl-3-oxopentanoyl-CoA thioesterase (enzymeID# e0822)
• EC 4.1.1.- 2,4,4-trimethyl-3-oxopentanoate decarboxylase (enzymeID# e0804)
• EC 4.1.1.- 4,4-dimethyl-3-oxopentanoate decarboxylase (enzymeID# e0806)
• EC 4.2.1.- 2,4,4-trimethylpent-2-enoyl-CoA hydratase (enzymeID# e0820)
• EC 6.2.1.- 2,4,4-trimethylpentanoate-CoA ligase (enzymeID# e0818)

Page Author(s): Daniel Baron and Carla Essenberg
Sun Feb 19 13:47:01 CST 2006 Contact Us

This is the EAWAG-BBD compounds and reactions page for the Isooctane Pathway.
It was generated on April 16, 2025 at 4:55:14 AM CDT.

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