CHEBI:139024 - 2-hydroxydodecanoyl-CoA

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ChEBI Name 2-hydroxydodecanoyl-CoA
ChEBI ID CHEBI:139024
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-hydroxydodecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H58N7O18P3S
Net Charge 0
Average Mass 965.838
Monoisotopic Mass 965.27719
InChI InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-21(41)32(46)62-16-15-35-23(42)13-14-36-30(45)27(44)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-26(57-59(47,48)49)25(43)31(56-22)40-20-39-24-28(34)37-19-38-29(24)40/h19-22,25-27,31,41,43-44H,4-18H2,1-3H3,(H,35,42)(H,36,45)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21?,22-,25-,26-,27+,31-/m1/s1
InChIKey DGCUOCHMLBJZEF-NJLCRHPKSA-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(CCCCCCCCCC)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-hydroxydodecanoyl-CoA (CHEBI:139024) has functional parent 2-hydroxydodecanoic acid (CHEBI:36211)
2-hydroxydodecanoyl-CoA (CHEBI:139024) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxydodecanoyl-CoA (CHEBI:139024) is a medium-chain fatty acyl-CoA (CHEBI:61907)
2-hydroxydodecanoyl-CoA (CHEBI:139024) is conjugate acid of 2-hydroxydodecanoyl-CoA(4−) (CHEBI:138299)
Incoming 2-hydroxydodecanoyl-CoA(4−) (CHEBI:138299) is conjugate base of 2-hydroxydodecanoyl-CoA (CHEBI:139024)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxydodecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2-hydroxydodecanoyl-coenzyme A ChEBI
2-hydroxylauroyl-CoA ChEBI
2-hydroxylauroyl-coenzyme A ChEBI
Last Modified
10 November 2017