CHEBI:74137 - 2-hydroxyhexadecanoyl-CoA

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ChEBI Name 2-hydroxyhexadecanoyl-CoA
ChEBI ID CHEBI:74137
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-hydroxypalmitic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H66N7O18P3S
Net Charge 0
Average Mass 1021.94200
Monoisotopic Mass 1021.33979
InChI InChI=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
InChIKey KCYAHSOGWAZYJF-QGGHQSAPSA-N
SMILES CCCCCCCCCCCCCCC(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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
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-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 (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 Sources
2-hydroxy-C16:0-CoA ChEBI
2-hydroxyhexadecanoyl-coenzyme A ChEBI
2-hydroxypalmitoyl-CoA ChEBI
2-hydroxypalmitoyl-coenzyme A ChEBI
Last Modified
09 January 2018