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CHEBI:34300 - 2-naphthoyl-CoA

ChEBI IDCHEBI:34300
ChEBI Name2-naphthoyl-CoA
Stars
DefinitionAn acyl-CoA thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-naphthoic acid..
Last Modified27 January 2016
DownloadsMolfile
FormulaC32H42N7O17P3S
Net Charge0
Average Mass921.709
Monoisotopic Mass921.15707
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C32H42N7O17P3S/c1-32(2,26(42)29(43)35-10-9-22(40)34-11-12-60-31(44)20-8-7-18-5-3-4-6-19(18)13-20)15-53-59(50,51)56-58(48,49)52-14-21-25(55-57(45,46)47)24(41)30(54-21)39-17-38-23-27(33)36-16-37-28(23)39/h3-8,13,16-17,21,24-26,30,41-42H,9-12,14-15H2,1-2H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,24-,25-,26+,30-/m1/s1
InChIKeyDPWZDDZXXDPFNM-YGFBVEKBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-naphthoyl-CoA (CHEBI:34300) has functional parent 2-naphthoic acid (CHEBI:36106)
2-naphthoyl-CoA (CHEBI:34300) has role mouse metabolite (CHEBI:75771)
2-naphthoyl-CoA (CHEBI:34300) is a acyl-CoA (CHEBI:17984)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(naphthalen-2-ylcarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-Naphthoyl-CoAKEGG COMPOUND
2-naphthoyl-coenzyme AChEBI
Manual XrefsDatabases
C14120KEGG COMPOUND
Citations