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CHEBI:74137 - 2-hydroxyhexadecanoyl-CoA

ChEBI IDCHEBI:74137
ChEBI Name2-hydroxyhexadecanoyl-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-hydroxypalmitic acid.
Last Modified9 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC37H66N7O18P3S
Net Charge0
Average Mass1021.955
Monoisotopic Mass1021.33979
SMILESCCCCCCCCCCCCCCC(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/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25(45)36(50)66-20-19-39-27(46)17-18-40-34(49)31(48)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-30(61-63(51,52)53)29(47)35(60-26)44-24-43-28-32(38)41-23-42-33(28)44/h23-26,29-31,35,45,47-48H,4-22H2,1-3H3,(H,39,46)(H,40,49)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25?,26-,29-,30-,31+,35-/m1/s1
InChIKeyKCYAHSOGWAZYJF-QGGHQSAPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyhexadecanoyl-CoA (CHEBI:74137) has functional parent 2-hydroxyhexadecanoic acid (CHEBI:65101)
2-hydroxyhexadecanoyl-CoA (CHEBI:74137) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
2-hydroxyhexadecanoyl-CoA (CHEBI:74137) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxyhexadecanoyl-CoA (CHEBI:74137) is a long-chain fatty acyl-CoA (CHEBI:33184)
2-hydroxyhexadecanoyl-CoA (CHEBI:74137) is conjugate acid of 2-hydroxypalmitoyl-CoA(4−) (CHEBI:74115)
Incoming Relation(s)
(R)-2-hydroxyhexadecanoyl-CoA (CHEBI:139375) is a 2-hydroxyhexadecanoyl-CoA (CHEBI:74137)
2-hydroxypalmitoyl-CoA(4−) (CHEBI:74115) is conjugate base of 2-hydroxyhexadecanoyl-CoA (CHEBI:74137)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-hydroxyhexadecanoyl-coenzyme AChEBI
2-hydroxypalmitoyl-coenzyme AChEBI
2-hydroxy-C16:0-CoAChEBI
2-hydroxypalmitoyl-CoAChEBI