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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:(11Z)-octadecenoyl-CoA
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Accession:CHEBI:75354 term browser browse the term
Definition:An octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-octadecenoic acid.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z)-octadec-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
 related_synonym: (11Z)-octadecenoyl-coenzyme A;   11cis-octadecenoyl-CoA;   11cis-octadecenoyl-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/h9-10,26-28,32-34,38,49-50H,4-8,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b10-9-/t28-,32-,33-,34+,38-/m1/s1;   InChIKey=HEJOXXLSCAQQGQ-SAIINBSPSA-N;   SMILES=CCCCCC\\C=C/CCCCCCCCCC(=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)n1cnc2c(N)ncnc12;   cis-vaccenoyl CoA;   cis-vaccenoyl coenzyme A
 xref: HMDB:HMDB0006521;   LIPID_MAPS_instance:LMFA07050003
 cyclic_relationship: is_conjugate_acid_of CHEBI:75121


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      chemical role 19422
        donor 18873
          acyl donor 29
            acyl-CoA 29
              fatty acyl-CoA 16
                long-chain fatty acyl-CoA 10
                  octadecenoyl-CoA 3
                    (11Z)-octadecenoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            hydroxides 19300
                              oxoacid 18725
                                pnictogen oxoacid 13221
                                  phosphorus oxoacid 12413
                                    phosphoric acids 11427
                                      phosphoric acid 11417
                                        phosphoric acid derivative 11226
                                          phosphate 11225
                                            organic phosphate 11225
                                              carbohydrate phosphate 1855
                                                phospho sugar 1702
                                                  aldose phosphate 1699
                                                    aldopentose phosphate 1691
                                                      ribose phosphate 1684
                                                        ribonucleotide 1645
                                                          purine ribonucleotide 1612
                                                            adenyl ribonucleotide 1305
                                                              adenosine phosphate 296
                                                                adenosine 5'-phosphate 295
                                                                  ADP 88
                                                                    coenzyme A 29
                                                                      acyl-CoA 29
                                                                        fatty acyl-CoA 16
                                                                          unsaturated fatty acyl-CoA 5
                                                                            monounsaturated fatty acyl-CoA 5
                                                                              octadecenoyl-CoA 3
                                                                                (11Z)-octadecenoyl-CoA 0
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