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phylloquinone

MNXM727042 is deprecated and here replaced by MNXM1106873
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106873

	#reac
in my sandbox	0
in MNXref (generic)	51
in models (compartimentalized)	12

formula

C₃₁H₄₆O₂

charge

mass

450.34978

reference

chebi:18067

InChIKey

MBWXNTAXLNYFJB-NKFFZRIASA-N

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

SMILES

CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18067 chebi:18067	phylloquinone 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone 2-Methyl-3-phytyl-1,4-naphthochinon 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione 2-methyl-3-phytyl-1,4-naphthoquinone 3-phytylmenadione Mephyton PHYLLOQUINONE Phyllochinon Phyllochinonum Phylloquinone Phytonadionum Phytylmenadione Vitamin K1 alpha-phylloquinone fitomenadiona fitomenadione phytomenadione phytomenadionum phytonadione trans-Phylloquinone vitamin K1 vitamin K1(20)
hmdb:HMDB0004198	Phylloquinol (e)-2-Methyl-3-phytyl-1,4-naphthalenediol 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthalenediol 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-1,4-naphthalenediol 2-Methyl-3-phytyl-1,4-naphthohydroquinone 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-diol Dihydro-phylloquinone Dihydrovitamin K1 Dihydroxyvitamin K Phytonadiol Reduced phylloquinone Reduced vitamin K Reduced vitamin K1 Vitamin K hydroquinone Vitamin K1 hydroquinone [R-[R,r-(e)]]-2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenediol alpha-Phyllohydroquinone alpha-phyllohydroquinone vitamin K hydroquinone
bigg.metabolite:phllqne biggM:phllqne	Phylloquinone
sabiork.compound:5972 sabiorkM:5972 kegg.compound:C02059 keggC:C02059	Phylloquinone 2-Methyl-3-phytyl-1,4-naphthoquinone Phytonadione Vitamin K1
kegg.drug:D00148 keggD:D00148	Phytonadione (JP18/USP) Mephyton (TN) Phytomenadione (INN) Vitamin K1 (TN)
hmdb:HMDB0003555	Vitamin K1 2',3'-trans-Vitamin K1 2',3'-trans-vitamin K1 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone 2-Methyl-3-phytyl-1,4-naphthochinon 2-Methyl-3-phytyl-1,4-naphthoquinone 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione 3-Phytylmenadione Aquamephyton Fitomenadiona Konakion Phyllochinon Phyllochinonum Phyllohydroquinone Phylloquinone Phytomenadione Phytomenadionum Phytonadione Phytonadionum Phytylmenadione Vitamin K 1 Vitamin K hydroquinone (phylloquinone) a-Phylloquinone alpha-Phylloquinone alpha-phylloquinone trans-Phylloquinone vitamin K
seed.compound:cpd01401 seedM:cpd01401	Vitamin K1 2-Methyl-3-phytyl-1,4-naphthoquinone 2-methyl-3-phytyl-1,4-naphthoquinone 3-phytylmenadione Phylloquinone Phytonadione phylloquinone phytomenadione phytonadione vitamin K1
SLM:000390033 slm:000390033	phylloquinone
lipidmaps:LMPR02030028 lipidmapsM:LMPR02030028	phylloquinone 2-Methyl-3-phytyl-1,4-naphthoquinone 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione PHYLLOQUINONE Phylloquinone Phytonadione Vitamin K1
metacyc.compound:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE metacycM:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE	phylloquinone 2-methyl-3-phytyl-1,4-naphthoquinone 3-phytylmenadione phytomenadione phytonadione vitamin K1
hmdb:HMDB0003596 hmdb:HMDB0015157 hmdb:HMDB0060502 hmdb:HMDB03555 hmdb:HMDB03596 hmdb:HMDB04198 hmdb:HMDB15157 hmdb:HMDB60502 chebi:11611 chebi:14833 chebi:26105 chebi:45148 chebi:8181 biggM:M_phllqne keggC:M_C02059 keggD:M_D00148 seedM:M_cpd01401	secondary/obsolete/fantasy identifier