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Details of Phylloquinone

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Role Analyte
namePhylloquinone
MPIMP IDA338008
isotopomerambient
formulaC31H46O2
molecular mass450.697
monoisotopic mass450.34978
InChIInChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
InChIKeyMBWXNTAXLNYFJB-NKFFZRIASA-N
substructure TMS0
substructure TBS0
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)3,391.51
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2784c51b31-3ce2-476b-be66-a84bdd46a513%27)

Synonyms of Phylloquinone

propertyvalue
BRENDA16088
CAS84-80-0
ChEBI IDChEBI:18067
ChEBI ontologyhas role cofactor
ChEBI ontologyhas role vitamin
ChEBI ontologyis a phylloquinones
ChemSpider ID4447652
MAPMANVitamin K1
PubChem CID5284607
PubChem SID24900741
33 synonym(s)
    of 4    

Metabolite mapped to Phylloquinone

metabolitestereoisomerisotopomer
Phylloquinone(2E,7R,11R)- ambient
1 metabolite(s)

Reference spectra of Phylloquinone

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
39/7/2004 12:00:00 AM M[6]Standard Addition
3 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 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
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