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CHEBI:16753 - pantetheine

ChEBI IDCHEBI:16753
ChEBI Namepantetheine
Stars
DefinitionAn amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine.
Secondary ChEBI IDsCHEBI:7913, CHEBI:14734, CHEBI:25843
Last Modified14 July 2021
DownloadsMolfile
FormulaC11H22N2O4S
Net Charge0
Average Mass278.374
Monoisotopic Mass278.13003
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS
InChIInChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1
InChIKeyZNXZGRMVNNHPCA-VIFPVBQESA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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)
pantetheine (CHEBI:16753) has role human metabolite (CHEBI:77746)
pantetheine (CHEBI:16753) has role metabolite (CHEBI:25212)
pantetheine (CHEBI:16753) has role mouse metabolite (CHEBI:75771)
pantetheine (CHEBI:16753) is a pantetheines (CHEBI:25845)
pantetheine (CHEBI:16753) is a thiol (CHEBI:29256)
IUPAC Name 
(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
Synonyms  Source
D-PantetheineChemIDplus
(R)-PantetheineKEGG COMPOUND
Lactobacillus bulgaricus factorChemIDplus
PantetheineKEGG COMPOUND
UniProt Name  Source
(R)-pantetheineUniProt
Manual XrefsDatabases
388453ChemSpider
C00831KEGG COMPOUND
CPD-511MetaCyc
FDB023172FooDB
HMDB0003426HMDB
PantetheineWikipedia
PNYPDBeChem
Registry NumbersSources
Reaxys:1714196Reaxys
CAS:496-65-1ChemIDplus
CAS:496-65-1KEGG COMPOUND
Citations