EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138298 - 2-hydroxyicosanoyl-CoA(4−)

ChEBI IDCHEBI:138298
ChEBI Name2-hydroxyicosanoyl-CoA(4−)
Stars
ASCII Name2-hydroxyicosanoyl-CoA(4-)
DefinitionA fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyicosanoyl-CoA; major species at pH 7.3.
Last Modified10 November 2017
Submitterlaimo
DownloadsMolfile
FormulaC41H70N7O18P3S
Net Charge-4
Average Mass1074.031
Monoisotopic Mass1073.37328
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)/p-4/t29?,30-,33-,34-,35+,39-/m1/s1
InChIKeyOABXIFAEJYWYDG-MNCIRMMRSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298) has functional parent icosanoyl-CoA(4−) (CHEBI:57380)
2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298) is a 2-hydroxy-fatty acyl-CoA(4−) (CHEBI:157766)
2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298) is a fatty acyl-CoA(4−) (CHEBI:77636)
2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298) is conjugate base of 2-hydroxyicosanoyl-CoA (CHEBI:139023)
Incoming Relation(s)
2-hydroxyicosanoyl-CoA (CHEBI:139023) is conjugate acid of 2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298)
Synonym  Source
2-hydroxyarachidoyl-CoA(4−)SUBMITTER
UniProt Name  Source
2-hydroxyeicosanoyl-CoAUniProt
Citations