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2-demethylmenaquinone-8

PropertiesImage
MNX_IDMNXM2178 Image of MNXM2178
referencechebi:48455
formulaC50H70O2
global charge0
mol weight703.108
InChIKeyGDUBPWSFXUAETN-AENDIINCSA-N
InChIInChI=1S/C50H70O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C2=CC=CC=C2C1=O
MNX internals
InChI (mnx)InChI=1/C50H70O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+ Image of MNXM2178
SMILES (mnx)[CH3:1][C:38]([CH3:2])=[CH:19][CH2:12][CH2:20]/[C:39]([CH3:3])=[CH:21]/[CH2:13][CH2:22]/[C:40]([CH3:4])=[CH:23]/[CH2:14][CH2:24]/[C:41]([CH3:5])=[CH:25]/[CH2:15][CH2:26]/[C:42]([CH3:6])=[CH:27]/[CH2:16][CH2:28]/[C:43]([CH3:7])=[CH:29]/[CH2:17][CH2:30]/[C:44]([CH3:8])=[CH:31]/[CH2:18][CH2:32]/[C:45]([CH3:9])=[CH:35]/[CH2:36][C:46]1=[CH:37][C:49](=[O:51])[C:47]2=[CH:33][CH:10]=[CH:11][CH:34]=[C:48]2[C:50]1=[O:52]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)40
in models (compartimentalized) 50
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:48455
chebi:48455
lipidmaps:LMPR02030027
lipidmapsM:LMPR02030027
GDUBPWSFXUAETN-AENDIINCSA-N 		2-demethylmenaquinone-8
(all-E)-2-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-1,4-naphthalenedione
2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]naphthalene-1,4-dione
demethylmenaquinone

bigg.metabolite:2dmmq8
biggM:2dmmq8
GDUBPWSFXUAETN-AENDIINCSA-N 		2-Demethylmenaquinone 8

seed.compound:cpd15352
seedM:cpd15352
GDUBPWSFXUAETN-AENDIINCSA-N 		2-Demethylmenaquinone 8
2-demethylmenaquinone 8
2-demethylmenaquinone-8
2dmmq8
DMK-8
demethylmenaquinone
demethylmenaquinone 8
demethylmenaquinone-8

metacyc.compound:DEMETHYLMENAQUINONE
metacycM:DEMETHYLMENAQUINONE
GDUBPWSFXUAETN-AENDIINCSA-N 		2-demethylmenaquinone-8
DMK-8
demethylmenaquinone 8

biggM:M_2dmmq8
seedM:M_cpd15352 		secondary/obsolete/fantasy identifier