CL161 – cardiolipin (tetrahexadec-9-enoyl, n-C16:1)

Name
WID CL161 View in model
Name cardiolipin (tetrahexadec-9-enoyl, n-C16:1) View in model
Traditional name 1-({[3-({[2,3-bis(hexadec-9-enoyloxy)propyl] phosphonato}oxy)-2-hydroxypropyl] phosphonato}oxy)-3-(hexadec-9-enoyloxy)propan-2-yl hexadec-9-enoate
IUPAC name 1-({[3-({[2,3-bis(hexadec-9-enoyloxy)propyl] phosphonato}oxy)-2-hydroxypropyl] phosphonato}oxy)-3-(hexadec-9-enoyloxy)propan-2-yl hexadec-9-enoate
Cross references PubChem: 8259, KEGG: C05980, BiGG: clpn161, LIPIDMAPS: LMGP12010000
 
Classification
Type lipid_glycerophospholipid_cardiolipin View in model
 
Structure
Empirical formula (pH 7.5) H132C73O17P2
SMILES (pH 7.5) CCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(O)COP([O-])(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC
Charge (pH 7.5) -2
Is hydrophobic True View in model
Molecular weight (Da) 1343.76 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)		 1377.17
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
logP 22.27
logD (pH 7.5) 17.51
 
Concentrations
Biomass composition (SP4 media, 
5% CO2, 37C; mmol gDCW‑1)

  • 0.00321314 [m]

 View in model
 
Function
Reaction participant cardiolipin synthase (periplasmic, n-C16:1)
(2) PG161[m] ⇔ CL161[m] + GL[c]		 View in model
 
Metadata
Created 2012-10-01 15:06:52
Last updated 2012-10-01 15:11:58