CHEBI:139023 - 2-hydroxyicosanoyl-CoA

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ChEBI Name 2-hydroxyicosanoyl-CoA
ChEBI ID CHEBI:139023
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-hydroxyicosanoic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H74N7O18P3S
Net Charge 0
Average Mass 1078.051
Monoisotopic Mass 1077.40239
InChI InChI=1S/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(49)40(54)70-24-23-43-31(50)21-22-44-38(53)35(52)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-34(65-67(55,56)57)33(51)39(64-30)48-28-47-32-36(42)45-27-46-37(32)48/h27-30,33-35,39,49,51-52H,4-26H2,1-3H3,(H,43,50)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t29?,30-,33-,34-,35+,39-/m1/s1
InChIKey OABXIFAEJYWYDG-MNCIRMMRSA-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(CCCCCCCCCCCCCCCCCC)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-hydroxyicosanoyl-CoA (CHEBI:139023) has functional parent 2-hydroxyarachidic acid (CHEBI:76992)
2-hydroxyicosanoyl-CoA (CHEBI:139023) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxyicosanoyl-CoA (CHEBI:139023) is a long-chain fatty acyl-CoA (CHEBI:33184)
2-hydroxyicosanoyl-CoA (CHEBI:139023) is conjugate acid of 2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298)
Incoming 2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298) is conjugate base of 2-hydroxyicosanoyl-CoA (CHEBI:139023)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyicosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2-hydroxyarachidoyl-CoA ChEBI
2-hydroxyarachidoyl-coenzyme A ChEBI
2-hydroxyeicosanoyl-CoA ChEBI
2-hydroxyeicosanoyl-coenzyme A ChEBI
2-hydroxyicosanoyl-coenzyme A ChEBI
Last Modified
10 November 2017