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: oleoyl-CoA
Accession: CHEBI:15534
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Definition: An octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oleic acid.
Synonyms: exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
related_synonym: (9Z)-Octadecenoyl-CoA; (9Z)-octadec-9-enoyl-CoA; (9Z)-octadec-9-enoyl-coenzyme A; Formula=C39H68N7O17P3S; InChI=1S/C39H68N7O17P3S/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/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1; InChIKey=XDUHQPOXLUAVEE-BPMMELMSSA-N; Oleoyl-coenzyme A; S-Oleoylcoenzyme A; S-[(9Z)-octadec-9-enoyl]-CoA; S-[(9Z)-octadec-9-enoyl]-coenzyme A; S-oleoyl-CoA; SMILES=CCCCCCCC\\C=C/CCCCCCCC(=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; cis-9-octadecenoyl-CoA; cis-9-octadecenoyl-coenzyme A; cis-Delta(9)-octadecenoyl-CoA; cis-Delta(9)-octadecenoyl-coenzyme A
alt_id: CHEBI:14685; CHEBI:25668; CHEBI:7743
xref: CAS:1716-06-9; Chemspider:4593689; FooDB:FDB022554; HMDB:HMDB0001322; KEGG:C00510; LIPID_MAPS_instance:LMFA07050356
xref_mesh: MESH:C017585
xref: PDBeChem:3VV; PMID:10406955; PMID:1061066; PMID:11500518; PMID:15604682; PMID:16666608; PMID:25012658; PMID:25607896; PMID:30420764; PMID:30509981; PMID:32433610; PMID:32433613; PMID:32433614; PMID:6123958; PMID:710426; PMID:7142172; PMID:8220169; PMID:8373441; PMID:9751207; PMID:9756869; Reaxys:604341
cyclic_relationship: is_conjugate_acid_of CHEBI:57387
G
Gsta1
glutathione S-transferase alpha 1
multiple interactions
ISO
oleoyl-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
oleoyl-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
oleoyl-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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