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CHEBI:74140 - 2-hydroxytetracosanoyl-CoA

ChEBI IDCHEBI:74140
ChEBI Name2-hydroxytetracosanoyl-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-hydroxytetracosanoic acid.
Last Modified17 June 2013
SubmitterSteve
DownloadsMolfile
FormulaC45H82N7O18P3S
Net Charge0
Average Mass1134.171
Monoisotopic Mass1133.46499
SMILESCCCCCCCCCCCCCCCCCCCCCCC(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/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(53)44(58)74-28-27-47-35(54)25-26-48-42(57)39(56)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-38(69-71(59,60)61)37(55)43(68-34)52-32-51-36-40(46)49-31-50-41(36)52/h31-34,37-39,43,53,55-56H,4-30H2,1-3H3,(H,47,54)(H,48,57)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t33?,34-,37-,38-,39+,43-/m1/s1
InChIKeyRFMGUQJXIXHESC-YPMIVOHTSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxytetracosanoyl-CoA (CHEBI:74140) has functional parent cerebronic acid (CHEBI:61302)
2-hydroxytetracosanoyl-CoA (CHEBI:74140) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxytetracosanoyl-CoA (CHEBI:74140) is a very long-chain fatty acyl-CoA (CHEBI:61910)
2-hydroxytetracosanoyl-CoA (CHEBI:74140) is conjugate acid of 2-hydroxytetracosanoyl-CoA(4−) (CHEBI:74118)
Incoming Relation(s)
2-hydroxytetracosanoyl-CoA(4−) (CHEBI:74118) is conjugate base of 2-hydroxytetracosanoyl-CoA (CHEBI:74140)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxytetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-hydroxylignoceroyl-coenzyme AChEBI
2-hydroxy-C24:0-CoAChEBI
2-hydroxylignoceroyl-CoAChEBI
2-hydroxytetracosanoyl-coenzyme AChEBI