HDCEA – Hexadecenoate (n-C16:1)

Name
WID HDCEA View in model
Name Hexadecenoate (n-C16:1) View in model
Traditional name hexadec-9-enoate
IUPAC name hexadec-9-enoate
Cross references ChEBI: 28716, PubChem: 7849924, KEGG: C08362, BioCyc: CPD-9245, LipidBank: DFA0095, ... 2 more
 
Classification
Type fatty_acyl View in model
 
Structure
Empirical formula (pH 7.5) H29C16O2
SMILES (pH 7.5) C(=O)(CCCCCCCC=CCCCCCC)[O-]
Charge (pH 7.5) -1
Is hydrophobic False View in model
Molecular weight (Da) 253.40 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
283.51
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 1071.60
logP 5.89
logD (pH 7.5) 3.70
 
Concentrations
Media composition (SP4; mM) 0.316 View in model
 
Function
Complex subunit cis-hexadec-9-enoyl-[acyl-carrier protein] (n-C16:1)
[c]: ATP + COA + HDCEA + MG_287_MONOMERAMP + H + PAP + PPI + MG_287_MONOMER_hdeACP
Reaction participant View in model
 
Comments
Comments SP4 media composition calculations estimated SP4 media contains 16 mg HDCA / L. However the simulation suggests additional HDCA is required for growth. Concentration set to 80 mg / L to support growth.
 
Metadata
Created 2012-10-01 15:07:00
Last updated 2012-10-01 15:12:15