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Details of Phylloquinone

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Role	Metabolite
MPIMP ID	M000196
stereoisomer	(2E,7R,11R)-
isotopomer	ambient
formula	C31H46O2
molecular mass	450.697
monoisotopic mass	450.34978
InChI	InChI=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
InChIKey	MBWXNTAXLNYFJB-NKFFZRIASA-N
class	Terpenoid (Quinone)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2784c51b31-3ce2-476b-be66-a84bdd46a513%27)

Synonyms of Phylloquinone

property	value
BRENDA	16088
CAS	84-80-0
ChEBI ID	ChEBI:18067
ChEBI ontology	has role cofactor
ChEBI ontology	has role vitamin
ChEBI ontology	is a phylloquinones
ChemSpider ID	4447652
MAPMAN	Vitamin K1
PubChem CID	5284607
PubChem SID	24900741
33 synonym(s)
Page of 4 Results per page:

Derivatives of Phylloquinone

analyte	stereoisomer	isotopomer
Phylloquinone (1TMS)		ambient
Phylloquinone (2TMS)		ambient
Phyllodihydroquinone (2TMS)		ambient
Phyllodihydroquinone (2TMS)		ambient
Phylloquinone (2TMS)		ambient
Phylloquinone	(2E,7R,11R)-	ambient
Phylloquinone		ambient
Phyllohydroquinone (2TMS)		ambient
8 analyte(s)

Reference substances of Phylloquinone

reference substance	supplier	supplier code	lot
Phylloquinone	Sigma	V3501
Phylloquinone	Aldrich	28.740-7	14714AS JI
Phylloquinone	Sigma	V3501
3 reference substance(s)

Isotopomers and stereoisomers of Phylloquinone

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Phylloquinone Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative Phylloquinone Profile Data

species
no qualitative metabolite profile data available!

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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