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CHEBI:74474 - (R)-3-hydroxyhexanoyl-CoA

ChEBI IDCHEBI:74474
ChEBI Name(R)-3-hydroxyhexanoyl-CoA
Stars
ASCII Name(R)-3-hydroxyhexanoyl-CoA
DefinitionA 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxyhexanoic acid.
Last Modified3 July 2013
SubmitterSteve
DownloadsMolfile
FormulaC27H46N7O18P3S
Net Charge0
Average Mass881.685
Monoisotopic Mass881.18329
SMILESCCC[C@@H](O)CC(=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/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16-,20-,21-,22+,26-/m1/s1
InChIKeyVAAHKRMGOFIORX-RLVCGTLZSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(R)-3-hydroxyhexanoyl-CoA (CHEBI:74474) has functional parent hexanoic acid (CHEBI:30776)
(R)-3-hydroxyhexanoyl-CoA (CHEBI:74474) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456)
(R)-3-hydroxyhexanoyl-CoA (CHEBI:74474) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(R)-3-hydroxyhexanoyl-CoA (CHEBI:74474) is a medium-chain fatty acyl-CoA (CHEBI:61907)
(R)-3-hydroxyhexanoyl-CoA (CHEBI:74474) is conjugate acid of (R)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:74280)
Incoming Relation(s)
(R)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:74280) is conjugate base of (R)-3-hydroxyhexanoyl-CoA (CHEBI:74474)
Synonym  Source
(R)-3-hydroxyhexanoyl-coenzyme AChEBI
Manual XrefsDatabases
CPD-14915MetaCyc