HDCEA – Hexadecenoate (n-C16:1)

Name
WID	HDCEA
Name	Hexadecenoate (n-C16:1)
Traditional name	hexadec-9-enoate
IUPAC name	hexadec-9-enoate
Cross references	ChEBI: 28716, PubChem: 7849924, KEGG: C08362, BioCyc: CPD-9245, LipidBank: DFA0095, ... 2 moreBiGG: hdcea, LIPIDMAPS: LMFA01030056

Classification
Type	fatty_acyl

Structure
Empirical formula (pH 7.5)	H₂₉C₁₆O₂
SMILES (pH 7.5)	C(=O)(CCCCCCCC=CCCCCCC)[O-]
Charge (pH 7.5)	-1
Is hydrophobic	False
Molecular weight (Da)	253.40
van der Waals volume (pH 7.5; Å³ molecule^‑1)	283.51
Δ_fG^'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

Function
Complex subunit	cis-hexadec-9-enoyl-[acyl-carrier protein] (n-C16:1) [c]: ATP + COA + HDCEA + MG_287_MONOMER ⇒ AMP + H + PAP + PPI + MG_287_MONOMER_hdeACP
Reaction participant	Triacylglycerol lipase (tri_hdcea_in) (MG_310) [e]: (3) H2O + TRI_HDCEA_IN ⇔ GL + (3) H + (3) HDCEA acyl-[acyl-carrier-protein] synthetase (n-C16:1) [c]: ATP + HDCEA + MG_287_MONOMER_ACP ⇒ AMP + MG_287_MONOMER_hdeACP + PPI Triacylglycerol lipase (tri_hdcea_in) (MG_327) [e]: (3) H2O + TRI_HDCEA_IN ⇔ GL + (3) H + (3) HDCEA Hexadecenoate (n-C16:1) transport HDCEA[e] ⇔ HDCEA[c] Triacylglycerol lipase (tri_hdcea_in) (MG_344) [e]: (3) H2O + TRI_HDCEA_IN ⇔ GL + (3) H + (3) HDCEA

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