EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139023 - 2-hydroxyicosanoyl-CoA

ChEBI IDCHEBI:139023
ChEBI Name2-hydroxyicosanoyl-CoA
Stars
DefinitionA hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyicosanoic acid
Last Modified10 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC41H74N7O18P3S
Net Charge0
Average Mass1078.063
Monoisotopic Mass1077.40239
SMILESCCCCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(49)40(54)70-24-23-43-31(50)21-22-44-38(53)35(52)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-34(65-67(55,56)57)33(51)39(64-30)48-28-47-32-36(42)45-27-46-37(32)48/h27-30,33-35,39,49,51-52H,4-26H2,1-3H3,(H,43,50)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t29?,30-,33-,34-,35+,39-/m1/s1
InChIKeyOABXIFAEJYWYDG-MNCIRMMRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyicosanoyl-CoA (CHEBI:139023) has functional parent 2-hydroxyarachidic acid (CHEBI:76992)
2-hydroxyicosanoyl-CoA (CHEBI:139023) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxyicosanoyl-CoA (CHEBI:139023) is a long-chain fatty acyl-CoA (CHEBI:33184)
2-hydroxyicosanoyl-CoA (CHEBI:139023) is conjugate acid of 2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298)
Incoming Relation(s)
2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298) is conjugate base of 2-hydroxyicosanoyl-CoA (CHEBI:139023)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyicosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-hydroxyarachidoyl-CoAChEBI
2-hydroxyicosanoyl-coenzyme AChEBI
2-hydroxyeicosanoyl-CoAChEBI
2-hydroxyeicosanoyl-coenzyme AChEBI
2-hydroxyarachidoyl-coenzyme AChEBI