CHEBI:71446 - 3-hydroxyisoheptadecanoyl-CoA(4−)

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ChEBI Name 3-hydroxyisoheptadecanoyl-CoA(4−) ChEBI ID CHEBI:71446 ChEBI ASCII Name 3-hydroxyisoheptadecanoyl-CoA(4-) Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxyisoheptadecanoyl-CoA. Stars This entity has been manually annotated by the ChEBI Team. Submitter Alan Bridge 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 C38H64N7O18P3S Net Charge -4 Average Mass 1031.93700 Monoisotopic Mass 1031.32633 InChI InChI=1S/C38H68N7O18P3S/c1-25(2)14-12-10-8-6-5-7-9-11-13-15-26(46)20-29(48)67-19-18-40-28(47)16-17-41-36(51)33(50)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-32(62-64(52,53)54)31(49)37(61-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-27,31-33,37,46,49-50H,5-22H2,1-4H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/p-4/t26?,27-,31-,32-,33+,37-/m1/s1 InChIKey UXWUSXRGWGOULX-JKWRZQDASA-J SMILES CC(C)CCCCCCCCCCCC(O)CC(=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 ChEBI Ontology Outgoing 3-hydroxyisoheptadecanoyl-CoA(4−) (CHEBI:71446) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102) 3-hydroxyisoheptadecanoyl-CoA(4−) (CHEBI:71446) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139) 3-hydroxyisoheptadecanoyl-CoA(4−) (CHEBI:71446) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508) 3-hydroxyisoheptadecanoyl-CoA(4−) (CHEBI:71446) is conjugate base of 3-hydroxyisoheptadecanoyl-CoA (CHEBI:72003) Incoming 3-hydroxyisoheptadecanoyl-CoA (CHEBI:72003) is conjugate acid of 3-hydroxyisoheptadecanoyl-CoA(4−) (CHEBI:71446) IUPAC Name 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate} Synonyms Sources 3-hydroxy-15-methylhexadecanoyl-CoA(4−) SUBMITTER 3-hydroxy-15-methylhexadecanoyl-coenzyme A(4−) SUBMITTER 3-hydroxy-15-methylpalmitoyl-CoA(4−) SUBMITTER 3-hydroxy-15-methylpalmitoyl-coenzyme A(4−) SUBMITTER 3-hydroxyisoheptadecanoyl-CoA UniProt 3-hydroxyisoheptadecanoyl-coenzyme A(4−) SUBMITTER Citation Type Source 18390550 PubMed citation SUBMITTER Last Modified 08 November 2021