Chem
J-GLOBAL ID:200907077949779150   Nikkaji number:J396.654B

3-Tetradecynoyl CoA

3-テトラデシノイルCoA
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: C35H60N7O16P3S
Molecular formula furigana: C35-H60-N7-O16-P3-S
Molecular weight: 959.880
InChI: InChI=1S/C35H60N7O16P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-62-20-18-37-26(43)16-17-38-33(46)30(45)35(2,3)22-55-61(52,53)58-60(50,51)54-21-25-29(57-59(47,48)49)28(44)34(56-25)42-24-41-27-31(36)39-23-40-32(27)42/h23-25,28-30,34,44-45H,4-12,15-22H2,1-3H3,(H,37,43)(H,38,46)(H,50,51)(H,52,53)(H2,36,39,40)(H2,47,48,49)/t25-,28-,29-,30+,34-/m1/s1
InChI key: BTVSNCWVZWRRLT-YMCGGQAXSA-N
SMILES: CCCCCCCCCCC#CCCSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n1cnc2c(N)ncnc12
Systematic name  (3):
  • アデノシン3′-りん酸5′-[二りん酸P2-[(R)-3-ヒドロキシ-2,2-ジメチル-3-[[2-[[2-(3-テトラデシン-1-イルチオ)エチル]カルバモイル]エチル]カルバモイル]プロピル]]
  • {[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-2-({[ヒドロキシ({ヒドロキシ[(3R)-3-ヒドロキシ-2,2-ジメチル-3-[(2-{[2-(テトラデカ-3-イン-1-イルスルファニル)エチル]カルバモイル}エチル)カルバモイル]プロポキシ]ホスホリル}オキシ)ホスホリル]オキシ}メチル)オキソラン-3-イル]オキシ}ホスホン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetradec-3-yn-1-ylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (3):
  • 3-Tetradecynoyl CoA
  • 3-テトラデシノイルCoA
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-(3-tetradecyn-1-ylthio)ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
Application (1):
enzyme inhibitor
Thsaurus map:

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