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Details of Shikimic acid-3-phosphate (5TMS)

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Role Analyte
nameShikimic acid-3-phosphate (5TMS)
MPIMP IDA221011
isotopomerambient
formulaC22H51O8PSi5
molecular mass615.037
monoisotopic mass614.21679
InChIInChI=1S/C22H51O8PSi5/c1-32(2,3)26-20-17-18(22(23)28-34(7,8)9)16-19(21(20)27-33(4,5)6)25-31(24,29-35(10,11)12)30-36(13,14)15/h16,19-21H,17H2,1-15H3/t19-,20-,21-/m1/s1
InChIKeyPZACESXZDXUBKB-NJDAHSKKSA-N
substructure TMS 
substructure TBS0
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)2,210.86
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27f97c6ac2-5509-4e52-878a-44b1c084e5d7%27)

Synonyms of Shikimic acid-3-phosphate (5TMS)

Metabolite mapped to Shikimic acid-3-phosphate (5TMS)

Reference spectra of Shikimic acid-3-phosphate (5TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
2 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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