MetaCyc Compound: neoabietic acid

Superclasses: a lipidan isoprenoida terpenoida diterpenoid
a secondary metabolitea terpenoida diterpenoid
an acid

Chemical Formula: C20H29O2

Molecular Weight: 301.45 Daltons

Monoisotopic Molecular Weight: 302.2245802072 Daltons

neoabietic acid compound structure

SMILES: CC(=C3(CCC2(C1(C(C(CCC1)(C(=O)[O-])C)CCC2=C3)C)))C

InChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/p-1/t16-,17?,19+,20+/m0/s1


Unification Links: KEGG:C11889, PubChem:25202082

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 253.17043Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

neoabietic acid biosynthesis :
neoabietadienal + NADPH + oxygen → neoabietic acid + NADP+ + H2O


Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 19.5 on Sat Nov 28, 2015, BIOCYC14B.