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CHEBI:132311 - S-hexanoyl-4'-phosphopantetheine

ChEBI IDCHEBI:132311
ChEBI NameS-hexanoyl-4'-phosphopantetheine
Stars
ASCII NameS-hexanoyl-4'-phosphopantetheine
DefinitionAn S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of hexanoic acid.
Last Modified29 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC17H33N2O8PS
Net Charge0
Average Mass456.498
Monoisotopic Mass456.16952
SMILESCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)O
InChIInChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/t15-/m0/s1
InChIKeyKGMBPSVUBJAAEN-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (18799520)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
water-soluble vitamin (role)  Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
S-hexanoyl-4'-phosphopantetheine (CHEBI:132311) has functional parent hexanoic acid (CHEBI:30776)
S-hexanoyl-4'-phosphopantetheine (CHEBI:132311) has role mouse metabolite (CHEBI:75771)
S-hexanoyl-4'-phosphopantetheine (CHEBI:132311) is a S-acyl-4'-phosphopantetheine (CHEBI:132310)
S-hexanoyl-4'-phosphopantetheine (CHEBI:132311) is conjugate acid of S-hexanoyl-4'-phosphopantetheine(2−) (CHEBI:132012)
Incoming Relation(s)
S-hexanoyl-4'-phosphopantetheine(2−) (CHEBI:132012) is conjugate base of S-hexanoyl-4'-phosphopantetheine (CHEBI:132311)
IUPAC Name 
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl] hexanethioate
Synonyms  Source
S-caproyl-4'-phosphopantetheineChEBI
caproyl-4'-phosphopantetheineChEBI
S-hexanoyl-D-pantetheine 4'-phosphateChEBI
S-caproyl-D-pantetheine 4'-phosphateChEBI
hexanoyl-4'-phosphopantetheineChEBI
Citations