PGP181 – Phosphatidylglycerophosphate (dioctadec-11-enoyl, n-C18:1)

Name
WID	PGP181
Name	Phosphatidylglycerophosphate (dioctadec-11-enoyl, n-C18:1)
Traditional name	1-({[2-hydroxy-3-(phosphonatooxy)propyl] phosphonato}oxy)-3-(octadec-11-enoyloxy)propan-2-yl octadec-11-enoate
IUPAC name	1-({[2-hydroxy-3-(phosphonatooxy)propyl] phosphonato}oxy)-3-(octadec-11-enoyloxy)propan-2-yl octadec-11-enoate
Cross references	PubChem: 6624, KEGG: C03892, LIPIDMAPS: LMGP05010000, BiGG: pgp181

Classification
Type	lipid_glycerophospholipid_phosphatidylglycerol_phosphate

Structure
Empirical formula (pH 7.5)	H₇₇C₄₂O₁₃P₂
SMILES (pH 7.5)	CCCCCCC=CCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(O)COP([O-])([O-])=O)OC(=O)CCCCCCCCCC=CCCCCCC
Charge (pH 7.5)	-3
Is hydrophobic	True
Molecular weight (Da)	852.00
van der Waals volume (pH 7.5; Å³ molecule^‑1)	841.93
Δ_fG^'o (pH 7.5, 25C, I = 0; kJ mol^‑1)	0.0
logP	11.87
logD (pH 7.5)	6.37

Concentrations
Biomass composition (SP4 media, 5% CO₂, 37C; mmol gDCW^‑1)	0.0147425 [m]

Function
Reaction participant	phosphatidylglycerol phosphate phosphatase (n-C18:1) H2O[c] + PGP181[m] ⇒ PG181[m] + PI[c] Phosphatidylglycerol synthase (n-C18:1) CDPDG181[m] + GL3P[c] ⇔ CMP[c] + (2) H[c] + PGP181[m]

Metadata
Created	2012-10-01 15:07:06
Last updated	2012-10-01 15:12:28