TTDCEA – tetradecenoate (n-C14:1)

Name
WID	TTDCEA
Name	tetradecenoate (n-C14:1)
Traditional name	tetradec-9-enoate
IUPAC name	tetradec-9-enoate
Cross references	ChEBI: 27781, PubChem: 7849919, KEGG: C08322, LipidBank: DFA0090, LIPIDMAPS: LMFA01030051, BiGG: ttdcea

Classification
Type	fatty_acyl

Structure
Empirical formula (pH 7.5)	H₂₅C₁₄O₂
SMILES (pH 7.5)	CCCCC=CCCCCCCCC([O-])=O
Charge (pH 7.5)	-1
Is hydrophobic	False
Molecular weight (Da)	225.35
van der Waals volume (pH 7.5; Å³ molecule^‑1)	249.78
Δ_fG^'o (pH 7.5, 25C, I = 0; kJ mol^‑1)	885.00
logP	5.01
logD (pH 7.5)	2.81

Concentrations
Media composition (SP4; mM)	0.311

Function
Complex subunit	cis-tetradec-7-enoyl-[acyl-carrier protein] (n-C14:1) [c]: ATP + COA + MG_287_MONOMER + TTDCEA ⇒ AMP + H + PAP + PPI + MG_287_MONOMER_tdeACP
Reaction participant	Triacylglycerol lipase (tri_ttdcea_in) (MG_344) [e]: (3) H2O + TRI_TTDCEA_IN ⇔ GL + H + (3) TTDCEA acyl-[acyl-carrier-protein] synthetase (n-C14:1) [c]: ATP + MG_287_MONOMER_ACP + TTDCEA ⇒ AMP + MG_287_MONOMER_tdeACP + PPI tetradecenoate (n-C14:1) transport TTDCEA[e] ⇔ TTDCEA[c] Triacylglycerol lipase (tri_ttdcea_in) (MG_310) [e]: (3) H2O + TRI_TTDCEA_IN ⇔ GL + H + (3) TTDCEA Triacylglycerol lipase (tri_ttdcea_in) (MG_327) [e]: (3) H2O + TRI_TTDCEA_IN ⇔ GL + H + (3) TTDCEA

Comments
Comments	SP4 media composition calculations estimated SP4 media contains 14.9 mg TTDCA / L. However the simulation suggests additional TTDCA is required for growth. Concentration set to 70 mg / L to support growth.

Metadata
Created	2012-10-01 15:07:08
Last updated	2012-10-01 15:12:35