Chem
J-GLOBAL ID:200907019992083452   Nikkaji number:J977.616H

CoM-S-S-CoB

コエンザイムM-HTPヘテロジスルフィド
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: C13H26NO10PS3
Molecular formula furigana: C13-H26-N-O10-P-S3
Molecular weight: 483.500
InChI: InChI=1S/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/t10-,12+/m1/s1
InChI key: OBGQLHXSMIBYLN-PWSUYJOCSA-N
SMILES: C[C@@H](OP(=O)(O)O)[C@H](NC(=O)CCCCCCSSCCS(=O)(=O)O)C(=O)O
Systematic name  (4):
  • (2S,3R)-2-[[7-[(2-スルホエチル)ジチオ]ヘプタノイル]アミノ]-3-ホスホノオキシ酪酸
  • N-[7-[(2-スルホエチル)ジチオ]ヘプタノイル]-O-ホスホノ-L-トレオニン
  • (2S,3R)-3-(ホスホノオキシ)-2-{7-[(2-スルホエチル)ジスルファニル]ヘプタンアミド}ブタン酸
  • (2S,3R)-3-(phosphonooxy)-2-{7-[(2-sulfoethyl)disulfanyl]heptanamido}butanoic acid
Other name (7):
  • (2S,3R)-2-[[7-[(2-Sulfoethyl)dithio]heptanoyl]amino]-3-phosphonooxybutyric acid
  • N-[7-[(2-Sulfoethyl)dithio]heptanoyl]-O-phosphono-L-threonine
  • Coenzyme M7-mercaptoheptanoylthreonine-phosphate heterodisulfide
  • Coenzyme M-HTP heterodisulfide
  • CoM-S-S-CoB
Show all
KEGG COMPOUND: C04832
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