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CHEBI:136986 - 2-hydroxyhexacosanoyl-CoA

ChEBI IDCHEBI:136986
ChEBI Name2-hydroxyhexacosanoyl-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-hydroxyhexacosanoic acid.
Last Modified9 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC47H86N7O18P3S
Net Charge0
Average Mass1162.225
Monoisotopic Mass1161.49629
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(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/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(55)46(60)76-30-29-49-37(56)27-28-50-44(59)41(58)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-40(71-73(61,62)63)39(57)45(70-36)54-34-53-38-42(48)51-33-52-43(38)54/h33-36,39-41,45,55,57-58H,4-32H2,1-3H3,(H,49,56)(H,50,59)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t35?,36-,39-,40-,41+,45-/m1/s1
InChIKeyLVZUJAQAVMAPMT-RVNPWDOLSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyhexacosanoyl-CoA (CHEBI:136986) has functional parent 2-hydroxyhexacosanoic acid (CHEBI:76986)
2-hydroxyhexacosanoyl-CoA (CHEBI:136986) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxyhexacosanoyl-CoA (CHEBI:136986) is a very long-chain fatty acyl-CoA (CHEBI:61910)
2-hydroxyhexacosanoyl-CoA (CHEBI:136986) is conjugate acid of 2-hydroxyhexacosanoyl-CoA(4−) (CHEBI:134414)
Incoming Relation(s)
2-hydroxyhexacosanoyl-CoA(4−) (CHEBI:134414) is conjugate base of 2-hydroxyhexacosanoyl-CoA (CHEBI:136986)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyhexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-OH-C26-CoAChEBI
2-hydroxycerotoyl-CoAChEBI
2-hydroxycerotoyl-coenzyme AChEBI
2-hydroxyhexacosanoyl-coenzyme AChEBI