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CHEBI:139304 - 2-hydroxyhexanoyl-CoA

ChEBI IDCHEBI:139304
ChEBI Name2-hydroxyhexanoyl-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-hydroxyhexanoic acid.
Last Modified14 December 2017
SubmitterSteve
DownloadsMolfile
FormulaC27H46N7O18P3S
Net Charge0
Average Mass881.685
Monoisotopic Mass881.18329
SMILESCCCCC(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/C27H46N7O18P3S/c1-4-5-6-15(35)26(40)56-10-9-29-17(36)7-8-30-24(39)21(38)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-20(51-53(41,42)43)19(37)25(50-16)34-14-33-18-22(28)31-13-32-23(18)34/h13-16,19-21,25,35,37-38H,4-12H2,1-3H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15?,16-,19-,20-,21+,25-/m1/s1
InChIKeyFWPHMBHGUDAPRV-XGGCCDIMSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyhexanoyl-CoA (CHEBI:139304) has functional parent 2-hydroxyhexanoic acid (CHEBI:86542)
2-hydroxyhexanoyl-CoA (CHEBI:139304) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxyhexanoyl-CoA (CHEBI:139304) is a medium-chain fatty acyl-CoA (CHEBI:61907)
2-hydroxyhexanoyl-CoA (CHEBI:139304) is conjugate acid of 2-hydroxyhexanoyl-CoA(4−) (CHEBI:138630)
Incoming Relation(s)
2-hydroxyhexanoyl-CoA(4−) (CHEBI:138630) is conjugate base of 2-hydroxyhexanoyl-CoA (CHEBI:139304)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
2-hydroxyhexanoyl-coenzyme AChEBI