CHEBI:139973 - oscr#13-CoA

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ChEBI Name oscr#13-CoA ChEBI ID CHEBI:139973 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#13. Stars This entity has been manually annotated by the ChEBI Team. Submitter Michael Witting Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C35H58N7O21P3S Net Charge 0 Average Mass 1037.858 Monoisotopic Mass 1037.26193 InChI InChI=1S/C35H58N7O21P3S/c1-20-21(43)15-22(44)34(60-20)57-13-8-6-4-5-7-9-25(46)67-14-12-37-24(45)10-11-38-32(49)29(48)35(2,3)17-59-66(55,56)63-65(53,54)58-16-23-28(62-64(50,51)52)27(47)33(61-23)42-19-41-26-30(36)39-18-40-31(26)42/h7,9,18-23,27-29,33-34,43-44,47-48H,4-6,8,10-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/b9-7+/t20-,21+,22+,23+,27+,28+,29-,33+,34+/m0/s1 InChIKey NCRMXPBHKCBSOG-VDQFIAQQSA-N SMILES C[C@@H]1O[C@@H](OCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O)[C@H](O)C[C@H]1O Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing oscr#13-CoA (CHEBI:139973) has functional parent oscr#13 (CHEBI:139971) oscr#13-CoA (CHEBI:139973) is a acyl-CoA (CHEBI:17984) oscr#13-CoA (CHEBI:139973) is conjugate acid of oscr#13-CoA(4−) (CHEBI:139974) Incoming oscr#13-CoA(4−) (CHEBI:139974) is conjugate base of oscr#13-CoA (CHEBI:139973) Synonyms Sources (2E)-8-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]oct-2-enoyl-CoA ChEBI (2E)-8-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]oct-2-enoyl-coenzyme A ChEBI oscr#13-coenzyme A ChEBI Last Modified 02 March 2018