loading...| Preferred Name |
pantethine |
|
| Synonyms |
(R-(R*,R*))-N,N'-(Dithiobis(ethyleneimino(3-oxopropane-3,1-diyl)))bis(2,4-dihydroxy-3,3-dimethylbutyramide) D-pantethine Bis(pantothenamidoethyl) disulfide N-[2-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethyldisulfanyl]ethylcarbamoyl]ethyl]-2,4-dihydroxy-3,3-dimethyl-butanamide D-Bis(N-pantothenyl-beta-aminoethyl) disulfide Pantetina Pantomin (2R,2'R)-N,N'-{disulfanediylbis[ethane-2,1-diylimino(3-oxopropane-3,1-diyl)]}bis(2,4-dihydroxy-3,3-dimethylbutanamide) |
|
| Definitions |
An organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds to a cysteamine disulfide bridging group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31959 |
|
| alternative label |
(R-(R*,R*))-N,N'-(Dithiobis(ethyleneimino(3-oxopropane-3,1-diyl)))bis(2,4-dihydroxy-3,3-dimethylbutyramide) D-pantethine Bis(pantothenamidoethyl) disulfide N-[2-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethyldisulfanyl]ethylcarbamoyl]ethyl]-2,4-dihydroxy-3,3-dimethyl-butanamide D-Bis(N-pantothenyl-beta-aminoethyl) disulfide Pantetina Pantomin (2R,2'R)-N,N'-{disulfanediylbis[ethane-2,1-diylimino(3-oxopropane-3,1-diyl)]}bis(2,4-dihydroxy-3,3-dimethylbutanamide) |
|
| charge |
0 |
|
| database_cross_reference |
CAS:16816-67-4 PMID:21155629 PMID:21551303 KEGG:C12661 Wikipedia:Pantethine PMID:21925346 PMID:21963510 HMDB:HMDB0003828 PMID:20416081 Reaxys:1718252 KEGG:D01234 Drug_Central:3417 PMID:20351285 |
|
| definition |
An organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds to a cysteamine disulfide bridging group. |
|
| formula |
C22H42N4O8S2 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
(2R,2'R)-N,N'-{disulfanediylbis[ethane-2,1-diylimino(3-oxopropane-3,1-diyl)]}bis(2,4-dihydroxy-3,3-dimethylbutanamide) |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(R-(R*,R*))-N,N'-(Dithiobis(ethyleneimino(3-oxopropane-3,1-diyl)))bis(2,4-dihydroxy-3,3-dimethylbutyramide) D-pantethine Bis(pantothenamidoethyl) disulfide N-[2-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethyldisulfanyl]ethylcarbamoyl]ethyl]-2,4-dihydroxy-3,3-dimethyl-butanamide D-Bis(N-pantothenyl-beta-aminoethyl) disulfide Pantetina Pantomin |
|
| has_RxCUI |
32863 |
|
| id |
CHEBI:31959 |
|
| in_subset | ||
| 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 |
|
| label |
pantethine |
|
| mass |
554.72100 |
|
| monoisotopicmass |
554.24441 |
|
| notation |
CHEBI:31959 |
|
| prefLabel |
pantethine |
|
| smiles |
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO |
|
| subClassOf |