Chem
J-GLOBAL ID：200907028800075124   Nikkaji number：J15.187D

Pantetheine

パンテテイン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H22N2O4S
Molecular formula furigana： C11-H22-N2-O4-S
Molecular weight： 278.370
InChI： InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1
InChI key： ZNXZGRMVNNHPCA-VIFPVBQESA-N
SMILES： CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS
Systematic name  (5)：
  • (R)-2,4-ジヒドロキシ-N-[3-[(2-メルカプトエチル)アミノ]-3-オキソプロピル]-3,3-ジメチルブタンアミド
  • (2R)-2,4-ジヒドロキシ-N-[2-[(2-メルカプトエチル)カルバモイル]エチル]-3,3-ジメチルブチルアミド
  • 2-[[3-[[(R)-2,4-ジヒドロキシ-3,3-ジメチルブタノイル]アミノ]プロパノイル]アミノ]エタンチオール
  • (2R)-2,4-ジヒドロキシ-3,3-ジメチル-N-{2-[(2-スルファニルエチル)カルバモイル]エチル}ブタンアミド
  • (2R)-2,4-dihydroxy-3,3-dimethyl-N-{2-[(2-sulfanylethyl)carbamoyl]ethyl}butanamide
Other name (5)：
  • パンテテイン
  • Pantetheine
  • (R)-2,4-Dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutanamide
  • (2R)-2,4-Dihydroxy-N-[2-[(2-mercaptoethyl)carbamoyl]ethyl]-3,3-dimethylbutyramide
  • 2-[[3-[[(R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoyl]amino]ethanethiol
CAS registry number： 496-65-1
Regulation number (2)：
  • 2-(6)-277
  • EINECS2078241
KEGG COMPOUND： C00831
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