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CHEBI:64972 - 3-hydroxyhexacosanoyl-CoA

ChEBI IDCHEBI:64972
ChEBI Name3-hydroxyhexacosanoyl-CoA
Stars
DefinitionA 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyhexacosanoic acid.
Last Modified19 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC47H86N7O18P3S
Net Charge0
Average Mass1162.225
Monoisotopic Mass1161.49629
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=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/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t35?,36-,40-,41-,42+,46-/m1/s1
InChIKeyGBMJOTOUUWGTIA-HSPCTEKSSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyhexacosanoyl-CoA (CHEBI:64972) has functional parent 3-hydroxyhexacosanoic acid (CHEBI:52422)
3-hydroxyhexacosanoyl-CoA (CHEBI:64972) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
3-hydroxyhexacosanoyl-CoA (CHEBI:64972) is conjugate acid of 3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959)
Incoming Relation(s)
3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959) is conjugate base of 3-hydroxyhexacosanoyl-CoA (CHEBI:64972)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyhexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
3-hydroxyhexacosanoyl-coenzyme AChEBI