CHEBI:139304 - 2-hydroxyhexanoyl-CoA

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ChEBI Name 2-hydroxyhexanoyl-CoA
ChEBI ID CHEBI:139304
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46N7O18P3S
Net Charge 0
Average Mass 881.679
Monoisotopic Mass 881.18329
InChI InChI=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
InChIKey FWPHMBHGUDAPRV-XGGCCDIMSA-N
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(CCCC)O)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 A ChEBI
Last Modified
14 December 2017