Structure Database (LMSD)

Common Name
Stearoyl adenylate
Systematic Name
O-octadecanoyl-adenosine monophosphate
Synonyms
LM ID
LMFA07080002
Formula
C28H48N5O8P
Exact Mass
Calculate m/z
613.324053
Sum Composition
AMP 18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl adenylates [FA0708]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Myxococcus xanthus (#34)
Myxococcia (#32015)
Fatty acyl-AMP ligase involvement in the production of alkylresorcylic acid by a Myxococcus xanthus type III polyketide synthase.,
Chembiochem, 2011
Pubmed ID: 21815236

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

Other Databases

CHEBI ID
182160
PubChem CID
122706279
PDB ID
1T1

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

Admin

Created at
11th Jul 2022
Updated at
12th Jul 2022