Coenzyme B

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Properties Simple | Detailed

Formula C11H22NO7PS
IUPAC Name (2s,3r)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
Molecular Mass 343.334 g·mol−1
Heat of Formation -1741.2 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 399.56 Å 3
Surface Area 359.3 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-2-(7-mercaptoheptanoylamino)-3-phosphonooxy-butyric acid
  • (2s,3r)-2-[(7-mercapto-1-oxoheptyl)amino]-3-phosphonooxybutanoic acid
  • (2s,3r)-2-[(7-mercaptoheptanoyl)amino]-3-(phosphonooxy)butanoic acid
  • (2s,3r)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
  • (2s,3r)-3-phosphonooxy-2-[(7-sulfanylheptanoyl)amino]butanoic acid
  • htp
  • n-(7-sulfanylheptanoyl)-l-threonine 3-(dihydrogen phosphate)
InChIKey JBJSVEVEEGOEBZ-SCZZXKLOSA-N
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