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2-methoxy-6-all-trans-decaprenyl-1,4-benzoquinone

MNXM9806 is deprecated and replaced by MNXM9805
PropertiesImage
MNX_IDMNXM9805 Image of MNXM9805
referencechebi:50773
formulaC57H86O3
global charge0
mol weight819.312
InChIKeyPOYJNCVGTDCCPK-RDSVHMIISA-N
InChIInChI=1S/C57H86O3/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58)43-56(60-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+
SMILESCOC1=CC(=O)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/C57H86O3/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58)43-56(60-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+ Image of MNXM9805
SMILES (mnx)[CH3:1][C:44]([CH3:2])=[CH:22][CH2:13][CH2:23]/[C:45]([CH3:3])=[CH:24]/[CH2:14][CH2:25]/[C:46]([CH3:4])=[CH:26]/[CH2:15][CH2:27]/[C:47]([CH3:5])=[CH:28]/[CH2:16][CH2:29]/[C:48]([CH3:6])=[CH:30]/[CH2:17][CH2:31]/[C:49]([CH3:7])=[CH:32]/[CH2:18][CH2:33]/[C:50]([CH3:8])=[CH:34]/[CH2:19][CH2:35]/[C:51]([CH3:9])=[CH:36]/[CH2:20][CH2:37]/[C:52]([CH3:10])=[CH:38]/[CH2:21][CH2:39]/[C:53]([CH3:11])=[CH:40]/[CH2:41][C:54]1=[CH:42][C:55](=[O:58])[CH:43]=[C:56]([O:60][CH3:12])[C:57]1=[O:59]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50773
chebi:50773
POYJNCVGTDCCPK-RDSVHMIISA-N 		2-methoxy-6-all-trans-decaprenyl-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]-6-methoxycyclohexa-2,5-diene-1,4-dione
2-decaprenyl-6-methoxy-1,4-benzoquinone

bigg.metabolite:2dp6mobq
biggM:2dp6mobq
POYJNCVGTDCCPK-RDSVHMIISA-N 		2-Decaprenyl-6-methoxy-1,4-benzoquinone
hmdb:HMDB0060248
POYJNCVGTDCCPK-RDSVHMIISA-N 		2-Decaprenyl-6-methoxy-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]-6-methoxycyclohexa-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]-6-methoxycyclohexa-2,5-diene-1,4-dione

metacyc.compound:CPD-11659
metacycM:CPD-11659
seed.compound:cpd23043
seedM:cpd23043
POYJNCVGTDCCPK-RDSVHMIISA-N 		2-decaprenyl-6-methoxy-1,4-benzoquinone

lipidmaps:LMPR02010033
lipidmapsM:LMPR02010033
vmhM:2dp6mobq
vmhmetabolite:2dp6mobq
POYJNCVGTDCCPK-RDSVHMIISA-N 		2-decaprenyl-6-methoxy-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]-6-methoxycyclohexa-2,5-diene-1,4-dione

hmdb:HMDB60248
biggM:M_2dp6mobq
seedM:M_cpd23043
vmhM:M_2dp6mobq 		secondary/obsolete/fantasy identifier