LIPOYLAMP – lipoyl-AMP

Name
WID LIPOYLAMP View in model
Name lipoyl-AMP View in model
Traditional name [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[5-(1,2-dithiolan-3-yl)pentanoyl]oxy}phosphonate
IUPAC name [5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[5-(1,2-dithiolan-3-yl)pentanoyl]oxy}phosphonate
Cross references PubChem: 47205546, KEGG: C16238, PDBCCD: LAQ, BioCyc: LIPOYL-AMP
 
Classification
Type modified_amino_acid View in model
 
Structure
Empirical formula (pH 7.5) H25C18N5O8P1S2
SMILES (pH 7.5) C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(CCCCC4(SSCC4))=O)([O-])=O
Charge (pH 7.5) -1
Is hydrophobic False View in model
Molecular weight (Da) 534.52 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
423.82
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
pI 3.94
logP -2.78
logD (pH 7.5) -2.11
 
Function
Reaction participant View in model
 
Comments
Comments Needed for model to predict positive growth. Added at concentration of 0.05 mg/L.
 
Metadata
Created 2012-10-01 15:07:01
Last updated 2012-10-01 15:12:18