Structure Database (LMSD)
Common Name
Stearoyl adenylate
Systematic Name
O-octadecanoyl-adenosine monophosphate
Synonyms
LM ID
LMFA07080002
Formula
Exact Mass
Calculate m/z
613.324053
Sum Composition
Status
Active
3D model of Stearoyl adenylate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
SWOLRYFPKWBFHG-VGSCBBJJSA-N
InChi (Click to copy)
InChI=1S/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1
SMILES (Click to copy)
N1(C2=C(C(=NC=N2)N)N=C1)[C@H]1[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OC(CCCCCCCCCCCCCCCCC)=O)O1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Myxococcus xanthus
(#34)
Deltaproteobacteria
(#28221)
Fatty acyl-AMP ligase involvement in the production of alkylresorcylic acid by a Myxococcus xanthus type III polyketide synthase.,
Chembiochem, 2011
Chembiochem, 2011
Pubmed ID:
21815236
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
3
Aromatic Rings
2
Rotatable Bonds
22
Van der Waals Molecular Volume
566.03
Topological Polar Surface Area
194.21
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
13
logP
6.26
Molar Refractivity
158.96
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Admin
Created at
11th Jul 2022
Updated at
12th Jul 2022