D-Pantethine

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Systematic / IUPAC Name: N-{3-[2-(2-{3-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino}ethyldisulfanyl)ethylamino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide

ID: Reference416

Other Names: Bis(N-pantothenylamidoethyl) disulfide;
D-Bis(N-pantothenyl-β-aminoethyl) disulfide;
D-Bis(N-pantothenyl-2-aminoethyl) disulfide;
Pantomin

Formula: C22H42N4O8S2

Class: Endogenous Metabolites

Spectral Data

D-Pantethine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 310
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 11:32:41 AM
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Identificators

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
InChI Key DJWYOLJPSHDSAL-ROUUACIJSA-N
Canonical SMILES O=C(NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CCNC(=O)C(O)C(C)(C)CO
CAS 16816674
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Other Names Bis(N-pantothenylamidoethyl) disulfide;
D-Bis(N-pantothenyl-β-aminoethyl) disulfide;
D-Bis(N-pantothenyl-2-aminoethyl) disulfide;
Pantomin

In Other Databases

ChemSpider 398402
Wikipedia Pantethine
ChEMBL CHEMBL2104786
PubChem 452306
HMDb HMDB03828
ChemIDPlus 016816674
ChEBI CHEBI:31959