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CHEBI:31959 - pantethine

ChEBI IDCHEBI:31959
ChEBI Namepantethine
Stars
DefinitionAn organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds to a cysteamine disulfide bridging group.
Last Modified22 February 2017
DownloadsMolfile
FormulaC22H42N4O8S2
Net Charge0
Average Mass554.732
Monoisotopic Mass554.24441
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1
InChIKeyDJWYOLJPSHDSAL-ROUUACIJSA-N
Wikipedia
Roles Classification
Biological Role:
coenzyme  A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
Application:
nutraceutical  A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
ChEBI Ontology
Outgoing Relation(s)
pantethine (CHEBI:31959) has functional parent pantothenic acid (CHEBI:7916)
pantethine (CHEBI:31959) has role coenzyme (CHEBI:23354)
pantethine (CHEBI:31959) has role nutraceutical (CHEBI:50733)
pantethine (CHEBI:31959) is a organic disulfide (CHEBI:35489)
IUPAC Name 
(2R,2'R)-N,N'-{disulfanediylbis[ethane-2,1-diylimino(3-oxopropane-3,1-diyl)]}bis(2,4-dihydroxy-3,3-dimethylbutanamide)
Synonyms  Source
Bis(pantothenamidoethyl) disulfideChemIDplus
(R-(R*,R*))-N,N'-(Dithiobis(ethyleneimino(3-oxopropane-3,1-diyl)))bis(2,4-dihydroxy-3,3-dimethylbutyramide)ChemIDplus
PantetinaChemIDplus
D-Bis(N-pantothenyl-beta-aminoethyl) disulfideChemIDplus
PantominChemIDplus
N-[2-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethyldisulfanyl]ethylcarbamoyl]ethyl]-2,4-dihydroxy-3,3-dimethyl-butanamideHMDB
Manual XrefsDatabases
C12661KEGG COMPOUND
HMDB0003828HMDB
D01234KEGG DRUG
PantethineWikipedia
3417DrugCentral
Registry NumbersSources
Reaxys:1718252Reaxys
CAS:16816-67-4KEGG COMPOUND
CAS:16816-67-4ChemIDplus
Citations