OCDCEA – octadecenoate (n-C18:1)

Name
WID OCDCEA View in model
Name octadecenoate (n-C18:1) View in model
Traditional name octadec-9-enoate
IUPAC name octadec-9-enoate
Cross references ChEBI: 16196, PubChem: 4265936, KEGG: C00712, LipidBank: DFA0111, LIPIDMAPS: LMFA01030002, BiGG: ocdcea
 
Classification
Type fatty_acyl View in model
 
Structure
Empirical formula (pH 7.5) H33C18O2
SMILES (pH 7.5) CCCCCCCCC=CCCCCCCCC([O-])=O
Charge (pH 7.5) -1
Is hydrophobic False View in model
Molecular weight (Da) 281.45 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
317.63
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 1258.20
logP 6.78
logD (pH 7.5) 4.59
 
Concentrations
Media composition (SP4; mM) 0.320 View in model
 
Function
Complex subunit cis-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1)
[c]: ATP + COA + MG_287_MONOMER + OCDCEAAMP + H + PAP + PPI + MG_287_MONOMER_octeACP
Reaction participant View in model
 
Comments
Comments SP4 media composition calculations estimated SP4 media contains 18.5 mg OCDCA / L. However the simulation suggests additional OCDCA is required for growth. Concentration set to 90 mg / L to support growth.
 
Metadata
Created 2012-10-01 15:07:05
Last updated 2012-10-01 15:12:26