Chem
J-GLOBAL ID：200907007738215707   Nikkaji number：J2.746.251K

N-Pantothenoylcysteine

D-パントテノイル-L-システイン
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： C12H22N2O6S
Molecular formula furigana： C12-H22-N2-O6-S
Molecular weight： 322.380
InChI： InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9+/m0/s1
InChI key： QSYCTARXWYLMOF-IONNQARKSA-N
SMILES： CC(C)(CO)[C@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O
Systematic name  (3)：
  • N-[3-[[(2S)-2,4-ジヒドロキシ-3,3-ジメチルブチリル]アミノ]プロパノイル]-L-システイン
  • (2R)-2-{3-[(2S)-2,4-ジヒドロキシ-3,3-ジメチルブタンアミド]プロパンアミド}-3-スルファニルプロパン酸
  • (2R)-2-{3-[(2S)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}-3-sulfanylpropanoic acid
Other name (5)：
  • N-[3-[[(2S)-2,4-Dihydroxy-3,3-dimethylbutyryl]amino]propanoyl]-L-cysteine
  • N-((R)-Pantothenoyl)-L-cysteine
  • D-Pantothenoyl-L-cysteine
  • N-Pantothenoylcysteine
  • D-パントテノイル-L-システイン
KEGG COMPOUND： C04079
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