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3-demethylubiquinone-10

Properties

Image

Occurences in reactions

MNX_ID

MNXM741775

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	3

formula

C₅₈H₈₈O₄

charge

mass

848.66826

reference

chebi:50771

InChIKey

ONGWDJKIJUAIOD-AVRCVIBKSA-N

InChI

InChI=1S/C58H88O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)57(61)58(62-13)56(54)60/h23,25,27,29,31,33,35,37,39,41,61H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+

SMILES

COC1=C(O)C(=O)C(C)=C(C/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)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50771 chebi:50771	3-demethylubiquinone-10 2-(all-trans-decaprenyl)-5-hydroxy-6-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-hydroxy-6-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione 2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone
bigg.metabolite:2dpmhobq biggM:2dpmhobq	2-Decaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
lipidmaps:LMPR02010031 lipidmapsM:LMPR02010031	2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-hydroxy-6-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
chebi:145734 biggM:M_2dpmhobq	secondary/obsolete/fantasy identifier