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Metabolic Modeling Tutorial
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Escherichia coli K-12 substr. MG1655 Compound: 2-trans-tetradecenoyl-CoA

Synonyms: (2E)-tetradecenoyl-CoA, trans-tetradec-2-enoyl-CoA

Superclasses: a lipid
an ester a thioester a coenzyme A-activated compound

Chemical Formula: C35H56N7O17P3S

Molecular Weight: 971.84 Daltons

Monoisotopic Molecular Weight: 975.2979237581001 Daltons

SMILES: CCCCCCCCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O

InChI: InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b15-14+/t24-,28-,29-,30+,34-/m1/s1

InChIKey: InChIKey=MBCVYCOKMMMWLX-YYMFEJJQSA-J

Unification Links: ChEBI:61405 , HMDB:HMDB03946 , IAF1260:45476 , KEGG:C05273 , MetaboLights:MTBLC61405 , PubChem:46173185

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -810.839

Credits:
Created in MetaCyc 31-Jul-2013 by Foerster H , Boyce Thompson Institute
Imported from MetaCyc 16-Sep-2013 by Paley S , SRI International


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by SRI International Pathway Tools version 18.5 on Sat Dec 20, 2014, biocyc11.