CHEBI:34300 - 2-naphthoyl-CoA

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ChEBI Name 2-naphthoyl-CoA
ChEBI ID CHEBI:34300
Definition An acyl-CoA thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-naphthoic acid..
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C32H42N7O17P3S
Net Charge 0
Average Mass 921.69900
Monoisotopic Mass 921.15708
InChI InChI=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
InChIKey DPWZDDZXXDPFNM-YGFBVEKBSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc2ccccc2c1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2-Naphthoyl-CoA KEGG COMPOUND
2-naphthoyl-coenzyme A ChEBI
Manual Xref Database
C14120 KEGG COMPOUND
View more database links
Citations Types Sources
19854898 PubMed citation Europe PMC
21124915 PubMed citation Europe PMC
Last Modified
27 January 2016