FComEx: D-Pantethine (PC000664)

Record Information

Version

1.0

Creation date

2015-10-09 22:31:50 UTC

Update date

2017-01-19 02:36:32 UTC

FoodComEx ID

PC000664

FoodDB Record

FDB023231

Chemical Information

Name

D-Pantethine

Description

Pantethine (Bis-pantethine) or "Co-enzyme pantethine" is a dimeric form of vitamin B5, composed of two molecules of pantothenic acid linked by cysteamine bridging groups. The monomer of this compound is known as pantetheine and is an intermediate in the production of Coenzyme A by the body. Pantethine is considered the more biologically active form of vitamin B5, but is less stable than pantothenic acid and tends to decompose over time if it is not kept refrigerated, so most vitamin B5 supplements are in the form of calcium pantothenate. [HMDB]

CAS Number

16816-67-4

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(R-(R,r))-N,n'-(dithiobis(ethyleneimino(3-oxopropane-3,1-diyl)))bis(2,4-dihydroxy-3,3-dimethylbutyramide)	ChEBI
Bis(pantothenamidoethyl) disulfide	ChEBI
Bis(pantothenamidoethyl) disulphide	Generator
D-Bis(N-pantothenyl-b-aminoethyl) disulfide	Generator
D-Bis(N-pantothenyl-b-aminoethyl) disulphide	Generator
D-Bis(N-pantothenyl-beta-aminoethyl) disulfide	ChEBI
D-Bis(N-pantothenyl-beta-aminoethyl) disulphide	Generator
D-Bis(N-pantothenyl-β-aminoethyl) disulfide	Generator
D-Bis(N-pantothenyl-β-aminoethyl) disulphide	Generator
N-[2-[2-[2-[3-[(2,4-Dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethyldisulfanyl]ethylcarbamoyl]ethyl]-2,4-dihydroxy-3,3-dimethyl-butanamide	ChEBI
N-[2-[2-[2-[3-[(2,4-Dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethyldisulphanyl]ethylcarbamoyl]ethyl]-2,4-dihydroxy-3,3-dimethyl-butanamide	Generator
Pantethine	hmdb
Pantethine (JP15)	hmdb
Pantetina	ChEBI
Pantomin	ChEBI
Pantosin	HMDB
Pantosin (TN)	hmdb

Chemical Formula

C22H42N4O8S2

IUPAC name

(2R)-N-[2-({2-[(2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}ethyl)disulfanyl]ethyl}carbamoyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide

InChI Identifier

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

InChI Key

DJWYOLJPSHDSAL-ROUUACIJSA-N

Isomeric SMILES

CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO

Average Molecular Weight

554.721

Monoisotopic Molecular Weight

554.24440572

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Beta amino acids and derivatives

Alternative Parents