CHEBI:57394 - stearoyl-CoA(4−)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name stearoyl-CoA(4−) ChEBI ID CHEBI:57394 ChEBI ASCII Name stearoyl-CoA(4-) Definition An acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate functions of stearoyl-CoA. Stars This entity has been manually annotated by the ChEBI Team. 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 C39H66N7O17P3S Net Charge -4 Average Mass 1029.96400 Monoisotopic Mass 1029.34707 InChI 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)/p-4/t28-,32-,33-,34+,38-/m1/s1 InChIKey SIARJEKBADXQJG-LFZQUHGESA-J 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)n1cnc2c(N)ncnc12 Metabolite of Species Details Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Biological Role(s): Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing stearoyl-CoA(4−) (CHEBI:57394) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) stearoyl-CoA(4−) (CHEBI:57394) has role human metabolite (CHEBI:77746) stearoyl-CoA(4−) (CHEBI:57394) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111) stearoyl-CoA(4−) (CHEBI:57394) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139) stearoyl-CoA(4−) (CHEBI:57394) is a saturated fatty acyl-CoA(4−) (CHEBI:77332) stearoyl-CoA(4−) (CHEBI:57394) is conjugate base of stearoyl-CoA (CHEBI:15541) Incoming stearoyl-CoA (CHEBI:15541) is conjugate acid of stearoyl-CoA(4−) (CHEBI:57394) IUPAC Name 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate) Synonyms Sources octadecanoyl-CoA UniProt stearoyl-CoA tetraanion ChEBI stearoyl-coenzyme A tetraanion ChEBI stearoyl-coenzyme A(4−) ChEBI Manual Xref Database STEAROYL-COA MetaCyc View more database links Last Modified 09 June 2021