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
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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:
C13 H26 NO10 PS3
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):
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