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phylloquinone

MNXM1587 is deprecated and here replaced by MNXM1364296
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364296 Image of MNXM1364296
referencechebi:18067
formulaC31H46O2
global charge0
mol weight450.707
InChIKeyMBWXNTAXLNYFJB-NKFFZRIASA-N
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
SMILESCC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C2=C(C=CC=C2)C1=O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1364296
SMILES (mnx)[CH3:1][CH:22]([CH3:2])[CH2:12][CH2:9][CH2:13][C@@H:23]([CH3:3])[CH2:14][CH2:10][CH2:15][C@@H:24]([CH3:4])[CH2:16][CH2:11][CH2:17]/[C:25]([CH3:5])=[CH:20]/[CH2:21][C:27]1=[C:26]([CH3:6])[C:30](=[O:32])[C:28]2=[CH:18][CH:7]=[CH:8][CH:19]=[C:29]2[C:31]1=[O:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)52
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18067
chebi:18067
MBWXNTAXLNYFJB-NKFFZRIASA-N 		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)

bigg.metabolite:phllqne
biggM:phllqne
MBWXNTAXLNYFJB-NKFFZRIASA-N 		Phylloquinone

sabiork.compound:5972
sabiorkM:5972
kegg.compound:C02059
keggC:C02059
MBWXNTAXLNYFJB-LKUDQCMESA-N
MBWXNTAXLNYFJB-NKFFZRIASA-N 		Phylloquinone
2-Methyl-3-phytyl-1,4-naphthoquinone
Phytonadione
Vitamin K1

kegg.drug:D00148
keggD:D00148
MBWXNTAXLNYFJB-LKUDQCMESA-N 		Phytonadione (JP18/USP)
Mephyton (TN)
Phytomenadione (INN)
Vitamin K1 (TN)

vmhM:M02829
vmhmetabolite:M02829
MBWXNTAXLNYFJB-NKFFZRIASA-N 		Reduced-Vitamin-K
2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-diol
hmdb:HMDB0003555
MBWXNTAXLNYFJB-NKFFZRIASA-N 		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
MBWXNTAXLNYFJB-NKFFZRIASA-N 		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
MBWXNTAXLNYFJB-NKFFZRIASA-N 		phylloquinone

lipidmaps:LMPR02030028
lipidmapsM:LMPR02030028
MBWXNTAXLNYFJB-NKFFZRIASA-N 		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

vmhM:phyQ
vmhmetabolite:phyQ
MBWXNTAXLNYFJB-NKFFZRIASA-N 		phylloquinone
2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione

metacyc.compound:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE
metacycM:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE
MBWXNTAXLNYFJB-NKFFZRIASA-N 		phylloquinone
2-methyl-3-phytyl-1,4-naphthoquinone
3-phytylmenadione
phytomenadione
phytonadione
vitamin K1

hmdb:HMDB0003596
hmdb:HMDB0015157
hmdb:HMDB03555
hmdb:HMDB03596
hmdb:HMDB15157
chebi:11611
chebi:14833
chebi:26105
chebi:45148
chebi:8181
biggM:M_phllqne
keggC:M_C02059
keggD:M_D00148
seedM:M_cpd01401
vmhM:M_M02829
vmhM:M_phyQ 		secondary/obsolete/fantasy identifier