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
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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 Waiting for Citations Types Sources
19854898 PubMed citation Europe PMC
21124915 PubMed citation Europe PMC
Last Modified
27 January 2016