CHEBI:87775 - (3S)-3-hydroxyicosanoyl-CoA

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ChEBI Name (3S)-3-hydroxyicosanoyl-CoA ChEBI ID CHEBI:87775 ChEBI ASCII Name (3S)-3-hydroxyicosanoyl-CoA Definition A 3-hydroxyicosanoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3S)-hydroxyicosanoic acid. 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 C41H74N7O18P3S Net Charge 0 Average Mass 1078.051 Monoisotopic Mass 1077.40239 InChI InChI=1S/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-30,34-36,40,49,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t29-,30+,34+,35+,36-,40+/m0/s1 InChIKey KNSVYMFEJLUJST-JKRKJKJSSA-N SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@@H](O)CCCCCCCCCCCCCCCCC)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). (via 3-hydroxyicosanoyl-CoA ) human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via 3-hydroxyicosanoyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing (3S)-3-hydroxyicosanoyl-CoA (CHEBI:87775) is a 3-hydroxyicosanoyl-CoA (CHEBI:52324) (3S)-3-hydroxyicosanoyl-CoA (CHEBI:87775) is a long-chain (3S)-hydroxy fatty acyl-CoA (CHEBI:137639) (3S)-3-hydroxyicosanoyl-CoA (CHEBI:87775) is conjugate acid of (3S)-3-hydroxyicosanoyl-CoA(4−) (CHEBI:87562) Incoming (3S)-3-hydroxyicosanoyl-CoA(4−) (CHEBI:87562) is conjugate base of (3S)-3-hydroxyicosanoyl-CoA (CHEBI:87775) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyicosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (3S)-3-hydroxyeicosanoyl-CoA ChEBI (3S)-3-hydroxyeicosanoyl-coenzyme A ChEBI (3S)-3-hydroxyicosanoyl-coenzyme A ChEBI Last Modified 04 July 2017