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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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2,3-epoxyphylloquinone

MNXM2912 is deprecated and here replaced by MNXM1370934
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1370934
reference	chebi:15759
formula	C₃₁H₄₆O₃
global charge	0
mol weight	466.706
InChIKey	KUTXFBIHPWIDJQ-HBDFACPTSA-N
InChI	InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-,30?,31?/m1/s1
SMILES	C/C(=C\CC12OC1(C)C(=O)C1=C(C=CC=C1)C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

MNX internals

InChI (mnx)	InChI=1/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-,30?,31?/m1/s1
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:31]12[C:29](=[O:33])[C:27]3=[CH:19][CH:8]=[CH:7][CH:18]=[C:26]3[C:28](=[O:32])[C:30]1([CH3:6])[O:34]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15759 chebi:15759 KUTXFBIHPWIDJQ-HBDFACPTSA-N	2,3-epoxyphylloquinone 1a-methyl-7a-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione 2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone vitamin K1 2,3-epoxide
lipidmaps:LMPR02030031 lipidmapsM:LMPR02030031 KUTXFBIHPWIDJQ-HBDFACPTSA-N	2,3-epoxyphylloquinone 2,3-Epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone 2,3-Epoxyphylloquinone 7a-methyl-1a-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
vmhM:vitKepox vmhmetabolite:vitKepox KUTXFBIHPWIDJQ-LKUDQCMESA-N	Vitamin K1 epoxide
kegg.compound:C05849 keggC:C05849 KUTXFBIHPWIDJQ-LKUDQCMESA-N	Vitamin K1 epoxide (2,3-Epoxyphytyl)menaquinone 1a,7a-Dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-naphth[2,3-b]oxirene-2,7-dione 2,3-Epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone 2,3-Epoxyphylloquinone Phylloquinone epoxide Phylloquinone oxide Phylloquinone-2,3-epoxide Vitamin K1 2,3-epoxide Vitamin K1 oxide
seed.compound:cpd03477 seedM:cpd03477 KUTXFBIHPWIDJQ-HBDFACPTSA-N	Vitamin K1 oxide (2,3-Epoxyphytyl)menaquinone 1,4-Naphthoquinone, 2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-2,3-Epoxyphylloquinone 1a,7a-Dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)- naphth[2,3-b]oxirene-2,7-dione 1a,7a-Dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-naphth[2,3-b]oxirene-2,7-dione 2,3-Epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone 2,3-Epoxyphylloquinone 2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone 2,3-epoxyphylloquinone Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)- Phylloquinone oxide Phylloquinone epoxide Phylloquinone oxide Phylloquinone, epoxide Phylloquinone-2,3-epoxide Vitamin K 2,3-epoxide Vitamin K1 2,3-epoxide Vitamin K1 epoxide Vitamin K1, epoxide vitamin K 2,3-epoxide
metacyc.compound:23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ metacycM:23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ KUTXFBIHPWIDJQ-HBDFACPTSA-N	vitamin K 2,3-epoxide 2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone 2,3-epoxyphylloquinone
chebi:11431 chebi:11432 chebi:19326 chebi:892 keggC:M_C05849 seedM:M_cpd03477 vmhM:M_vitKepox	secondary/obsolete/fantasy identifier