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CHEBI:139024 - 2-hydroxydodecanoyl-CoA

ChEBI IDCHEBI:139024
ChEBI Name2-hydroxydodecanoyl-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-hydroxydodecanoic acid.
Last Modified10 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC33H58N7O18P3S
Net Charge0
Average Mass965.847
Monoisotopic Mass965.27719
SMILESCCCCCCCCCCC(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/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
InChIKeyDGCUOCHMLBJZEF-NJLCRHPKSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-hydroxylauroyl-CoAChEBI
2-hydroxydodecanoyl-coenzyme AChEBI
2-hydroxylauroyl-coenzyme AChEBI