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CHEBI:15541 - stearoyl-CoA

ChEBI IDCHEBI:15541
ChEBI Namestearoyl-CoA
Stars
DefinitionA long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of stearic acid.
Secondary ChEBI IDsCHEBI:9256, CHEBI:15107, CHEBI:26754
Last Modified7 June 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H70N7O17P3S
Net Charge0
Average Mass1034.010
Monoisotopic Mass1033.37617
SMILESCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
InChIInChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1
InChIKeySIARJEKBADXQJG-LFZQUHGESA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
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 Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
stearoyl-CoA (CHEBI:15541) has functional parent octadecanoic acid (CHEBI:28842)
stearoyl-CoA (CHEBI:15541) has role Escherichia coli metabolite (CHEBI:76971)
stearoyl-CoA (CHEBI:15541) has role mouse metabolite (CHEBI:75771)
stearoyl-CoA (CHEBI:15541) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
stearoyl-CoA (CHEBI:15541) is a long-chain fatty acyl-CoA (CHEBI:33184)
stearoyl-CoA (CHEBI:15541) is a saturated fatty acyl-CoA (CHEBI:231546)
stearoyl-CoA (CHEBI:15541) is conjugate acid of stearoyl-CoA(4−) (CHEBI:57394)
Incoming Relation(s)
stearoyl-CoA(4−) (CHEBI:57394) is conjugate base of stearoyl-CoA (CHEBI:15541)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
Synonyms  Source
C18:0-CoAChEBI
C18:0-coenzyme AChEBI
S-stearoyl-CoAChEBI
S-stearoylcoenzyme AChemIDplus
octadecanoyl-CoAChEBI
octadecanoyl-coenzyme AChEBI
Manual XrefsDatabases
84957ChemSpider
C00412KEGG COMPOUND
FDB022431FooDB
HMDB0001114HMDB
LMFA07050369LIPID MAPS
ST9PDBeChem
Stearoyl-CoAWikipedia
Registry NumbersSources
Reaxys:8033851Reaxys
CAS:362-66-3KEGG COMPOUND
CAS:362-66-3ChemIDplus
Citations