Structure Database (LMSD)

Common Name
Undecanoyl-CoA
Systematic Name
Undecanoyl-CoA
Synonyms
  • CoA(11:0)
LM ID
LMFA07050398
Formula
C32H56N7O17P3S
Exact Mass
Calculate m/z
935.266634
Sum Composition
CoA 11:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl CoAs [FA0705]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]
Amino fatty acids [FA0110]
Carbocyclic fatty acids [FA0114]

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

String Representations

InChiKey (Click to copy)
IZWCGXGZGYKDHR-GRBGHKMPSA-N
InChi (Click to copy)
InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,25-,26-,27+,31-/m1/s1
SMILES (Click to copy)
[C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(CCCCCCCCCC)=O)O1)N1C=NC2C(N)=NC=NC1=2

Other Databases

HMDB ID
HMDB13114
CHEBI ID
78176
PubChem CID
86289265
PDB ID
UCC

Calculated Physicochemical Properties

Heavy Atoms 60
Rings 3
Aromatic Rings 2
Rotatable Bonds 29
Van der Waals Molecular Volume 789.23
Topological Polar Surface Area 365.70
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 21
logP 5.45
Molar Refractivity 218.27

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Created at
-
Updated at
25th Apr 2022