CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: stearoyl-CoA
Accession: CHEBI:15541
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Definition: A 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.
Synonyms: exact_synonym: 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
related_synonym: C18:0-CoA; C18:0-coenzyme A; Formula=C39H70N7O17P3S; InChI=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; InChIKey=SIARJEKBADXQJG-LFZQUHGESA-N; S-stearoyl-CoA; S-stearoylcoenzyme A; SMILES=CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N; Stearyl coenzyme A; Stearyl-CoA; octadecanoyl-CoA; octadecanoyl-coenzyme A; stearoyl-coenzyme A
alt_id: CHEBI:15107; CHEBI:26754; CHEBI:9256
xref: CAS:362-66-3; Chemspider:84957; FooDB:FDB022431; HMDB:HMDB0001114; KEGG:C00412; LIPID_MAPS_instance:LMFA07050369
xref_mesh: MESH:C017725
xref: PDBeChem:ST9; PMID:24356978; PMID:26098317; PMID:26098370; PMID:31838050; PMID:32251275; PMID:32601219; PMID:33052678; PMID:33207603; PMID:33374300; PMID:6472736; PMID:7480063; PMID:9434139; Reaxys:8033851; Wikipedia:Stearoyl-CoA
cyclic_relationship: is_conjugate_acid_of CHEBI:57394
G
Gsta1
glutathione S-transferase alpha 1
multiple interactions
ISO
stearoyl-coenzyme A binds to and results in decreased activity of GSTA1 protein
CTD
PMID:10542059
NCBI chr 9:23,703,476...23,720,121
Ensembl chr 9:23,703,477...23,720,121
G
Ppara
peroxisome proliferator activated receptor alpha
multiple interactions
ISO
stearoyl-coenzyme A binds to and results in increased activity of PPARA protein
CTD
PMID:11139385
NCBI chr 7:116,832,405...116,900,878
Ensembl chr 7:116,832,756...116,895,346
G
Pparg
peroxisome proliferator-activated receptor gamma
multiple interactions
ISO
stearoyl-coenzyme A binds to and results in increased activity of PPARG protein
CTD
PMID:11139385
NCBI chr 4:148,423,102...148,548,471
Ensembl chr 4:148,423,194...148,548,468
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