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

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MK-8

	Properties	Image
MNX_ID	MNXM1370053
reference	chebi:205208
formula	C₅₁H₇₂O₂
global charge	0
mol weight	717.135
InChIKey	LXKDFTDVRVLXFY-UHFFFAOYSA-N
InChI	InChI=1S/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36H,13-19,21,23,25,27,29,31,33,37H2,1-10H3
SMILES	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)C2=C(C=CC=C2)C1=O

MNX internals

InChI (mnx)	InChI=1/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36H,13-19,21,23,25,27,29,31,33,37H2,1-10H3/b39-22?,40-24?,41-26?,42-28?,43-30?,44-32?,45-36?
SMILES (mnx)	[CH3:1][C:38]([CH3:2])=[CH:20][CH2:13][CH2:21][C:39]([CH3:3])=[CH:22][CH2:14][CH2:23][C:40]([CH3:4])=[CH:24][CH2:15][CH2:25][C:41]([CH3:5])=[CH:26][CH2:16][CH2:27][C:42]([CH3:6])=[CH:28][CH2:17][CH2:29][C:43]([CH3:7])=[CH:30][CH2:18][CH2:31][C:44]([CH3:8])=[CH:32][CH2:19][CH2:33][C:45]([CH3:9])=[CH:36][CH2:37][C:47]1=[C:46]([CH3:10])[C:50](=[O:52])[C:48]2=[CH:34][CH:11]=[CH:12][CH:35]=[C:49]2[C:51]1=[O:53]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	46
in models (compartimentalized)	56

Similar chemical compounds in external resources
Identifier	Description
CHEBI:205208 chebi:205208 LXKDFTDVRVLXFY-UHFFFAOYSA-N	MK-8 2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)naphthalene-1,4-dione
bigg.metabolite:mqn8 biggM:mqn8 LXKDFTDVRVLXFY-UHFFFAOYSA-N	Menaquinone 8
hmdb:HMDB0254435 LXKDFTDVRVLXFY-UHFFFAOYSA-N	Menaquinone 8 2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl)-1,4-dihydronaphthalene-1,4-dione 2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl)naphthalene-1,4-dione
biggM:M_mqn8	secondary/obsolete/fantasy identifier