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3-demethylubiquinone-10

MNXM9802 is deprecated and here replaced by MNXM741775
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741775 Image of MNXM741775
referencechebi:231824
formulaC58H87O4
global charge-1
mol weight848.33
InChIKeyONGWDJKIJUAIOD-AVRCVIBKSA-M
InChIInChI=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/p-1/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+
SMILESCOC1=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
MNX internals
InChI (mnx)InChI=1/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+ Image of MNXM741775
SMILES (mnx)[CH3:1][C:43]([CH3:2])=[CH:23][CH2:14][CH2:24]/[C:44]([CH3:3])=[CH:25]/[CH2:15][CH2:26]/[C:45]([CH3:4])=[CH:27]/[CH2:16][CH2:28]/[C:46]([CH3:5])=[CH:29]/[CH2:17][CH2:30]/[C:47]([CH3:6])=[CH:31]/[CH2:18][CH2:32]/[C:48]([CH3:7])=[CH:33]/[CH2:19][CH2:34]/[C:49]([CH3:8])=[CH:35]/[CH2:20][CH2:36]/[C:50]([CH3:9])=[CH:37]/[CH2:21][CH2:38]/[C:51]([CH3:10])=[CH:39]/[CH2:22][CH2:40]/[C:52]([CH3:11])=[CH:41]/[CH2:42][C:54]1=[C:53]([CH3:12])[C:55](=[O:59])[C:57]([OH:61])=[C:58]([O:62][CH3:13])[C:56]1=[O:60]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:231824
chebi:231824
ONGWDJKIJUAIOD-AVRCVIBKSA-M 		3-demethylubiquinone-10
3-demethylubiquinone-10(1-)

bigg.metabolite:2dpmhobq
biggM:2dpmhobq
ONGWDJKIJUAIOD-AVRCVIBKSA-N 		2-Decaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone

lipidmaps:LMPR02010031
lipidmapsM:LMPR02010031
ONGWDJKIJUAIOD-AVRCVIBKSA-N 		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

vmhM:2dpmhobq
vmhmetabolite:2dpmhobq
ONGWDJKIJUAIOD-AVRCVIBKSA-N 		2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

CHEBI:50771
chebi:50771
ONGWDJKIJUAIOD-AVRCVIBKSA-N 		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

chebi:145734
biggM:M_2dpmhobq
vmhM:M_2dpmhobq 		secondary/obsolete/fantasy identifier