CHEBI:31959 - pantethine

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ChEBI Name pantethine
ChEBI ID CHEBI:31959
Definition An organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds to a cysteamine disulfide bridging group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H42N4O8S2
Net Charge 0
Average Mass 554.72100
Monoisotopic Mass 554.24441
InChI InChI=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
InChIKey DJWYOLJPSHDSAL-ROUUACIJSA-N
SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
Roles Classification
Biological Role(s): coenzyme
A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
(R-(R*,R*))-N,N'-(Dithiobis(ethyleneimino(3-oxopropane-3,1-diyl)))bis(2,4-dihydroxy-3,3-dimethylbutyramide) ChemIDplus
Bis(pantothenamidoethyl) disulfide ChemIDplus
D-Bis(N-pantothenyl-beta-aminoethyl) disulfide ChemIDplus
D-pantethine ChEBI
N-[2-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethyldisulfanyl]ethylcarbamoyl]ethyl]-2,4-dihydroxy-3,3-dimethyl-butanamide HMDB
Pantetina ChemIDplus
Pantomin ChemIDplus
Manual Xrefs Databases
3417 DrugCentral
C12661 KEGG COMPOUND
D01234 KEGG DRUG
HMDB0003828 HMDB
Pantethine Wikipedia
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Registry Numbers Types Sources
16816-67-4 CAS Registry Number KEGG COMPOUND
16816-67-4 CAS Registry Number ChemIDplus
1718252 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20351285 PubMed citation Europe PMC
20416081 PubMed citation Europe PMC
21155629 PubMed citation Europe PMC
21551303 PubMed citation Europe PMC
21925346 PubMed citation Europe PMC
21963510 PubMed citation Europe PMC
Last Modified
22 February 2017