CHEBI:28276 - (S)-3-hydroxyhexanoyl-CoA

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ChEBI Name (S)-3-hydroxyhexanoyl-CoA
ChEBI ID CHEBI:28276
ChEBI ASCII Name (S)-3-hydroxyhexanoyl-CoA
Definition A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyhexanoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:419, CHEBI:18780
Supplier Information
Download Molfile XML SDF
Formula C27H46N7O18P3S
Net Charge 0
Average Mass 881.67780
Monoisotopic Mass 881.183
InChI InChI=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+/m0/s1
InChIKey VAAHKRMGOFIORX-IKTBLOROSA-N
SMILES CCC[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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-3-hydroxyhexanoyl-CoA (CHEBI:28276) has functional parent (S)-3-hydroxyhexanoic acid (CHEBI:37049)
(S)-3-hydroxyhexanoyl-CoA (CHEBI:28276) has functional parent coenzyme A (CHEBI:15346)
(S)-3-hydroxyhexanoyl-CoA (CHEBI:28276) has role Escherichia coli metabolite (CHEBI:76971)
(S)-3-hydroxyhexanoyl-CoA (CHEBI:28276) has role human metabolite (CHEBI:77746)
(S)-3-hydroxyhexanoyl-CoA (CHEBI:28276) has role mouse metabolite (CHEBI:75771)
(S)-3-hydroxyhexanoyl-CoA (CHEBI:28276) is a hydroxy fatty acyl-CoA (CHEBI:61902)
(S)-3-hydroxyhexanoyl-CoA (CHEBI:28276) is conjugate acid of (S)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:62075)
Incoming (S)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:62075) is conjugate base of (S)-3-hydroxyhexanoyl-CoA (CHEBI:28276)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(S)-3-hydroxycaproyl-CoA ChEBI
(S)-3-hydroxycaproyl-coenzyme A ChEBI
(S)-3-Hydroxyhexanoyl-CoA KEGG COMPOUND
(S)-Hydroxyhexanoyl-CoA KEGG COMPOUND
3-hydroxyhexanoyl-coenzyme A ChEBI
Database Links Databases
C05268 KEGG COMPOUND
LMFA07050017 LIPID MAPS
View more database links
Last Modified
27 January 2016