Showing metabocard for benzoyl-CoA (MMDBc0054356)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:08:28 UTC
Update Date2022-08-27 01:55:32 UTC
Metabolite IDMMDBc0054356
Metabolite Identification
Common Namebenzoyl-CoA
DescriptionBenzoyl-CoA, also known as benzoyl CoA, belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain. Based on a literature review a significant number of articles have been published on Benzoyl-CoA.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007fadd7c54388>

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3D MOL for #<Metabolite:0x00007fadd7c54388>

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3D SDF for #<Metabolite:0x00007fadd7c54388>

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3D-SDF for #<Metabolite:0x00007fadd7c54388>

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PDB for #<Metabolite:0x00007fadd7c54388>

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3D PDB for #<Metabolite:0x00007fadd7c54388>

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SMILES for #<Metabolite:0x00007fadd7c54388>

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INCHI for #<Metabolite:0x00007fadd7c54388>

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Synonyms
ValueSource
Benzoyl coenzyme AChEBI
Benzoyl-coenzyme AChEBI
Benzoyl-S-coenzyme AChEBI
S-Benzoate coenzyme AChEBI
S-Benzoyl-coenzyme AChEBI
S-Benzoic acid coenzyme AGenerator
Benzoyl-coenzyme A, 14C-labeledHMDB
Benzoyl CoAHMDB
Benzoyl-CoAMeSH
Molecular FormulaC28H40N7O17P3S
Average Mass871.64
Monoisotopic Mass871.141423115
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1
InChI KeyVEVJTUNLALKRNO-TYHXJLICSA-N