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

Feedback

2-methoxy-5-methyl-6-all-trans-decaprenyl-1,4-benzoquinone

	Properties	Image
MNX_ID	MNXM9803
reference	chebi:50772
formula	C₅₈H₈₈O₃
global charge	0
mol weight	833.339
InChIKey	DLBRMPAESNEOJM-RGIWONJESA-N
InChI	InChI=1S/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+
SMILES	COC1=CC(=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/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+
SMILES (mnx)	[CH3:1][C:44]([CH3:2])=[CH:23][CH2:14][CH2:24]/[C:45]([CH3:3])=[CH:25]/[CH2:15][CH2:26]/[C:46]([CH3:4])=[CH:27]/[CH2:16][CH2:28]/[C:47]([CH3:5])=[CH:29]/[CH2:17][CH2:30]/[C:48]([CH3:6])=[CH:31]/[CH2:18][CH2:32]/[C:49]([CH3:7])=[CH:33]/[CH2:19][CH2:34]/[C:50]([CH3:8])=[CH:35]/[CH2:20][CH2:36]/[C:51]([CH3:9])=[CH:37]/[CH2:21][CH2:38]/[C:52]([CH3:10])=[CH:39]/[CH2:22][CH2:40]/[C:53]([CH3:11])=[CH:41]/[CH2:42][C:55]1=[C:54]([CH3:12])[C:56](=[O:59])[CH:43]=[C:57]([O:61][CH3:13])[C:58]1=[O:60]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50772 chebi:50772 DLBRMPAESNEOJM-RGIWONJESA-N	2-methoxy-5-methyl-6-all-trans-decaprenyl-1,4-benzoquinone 2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone 3-[(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-methoxy-2-methyl-1,4-benzoquinone 3-[(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-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione 5-demethoxyubiquinone-10
bigg.metabolite:2dp6mobq_me biggM:2dp6mobq_me DLBRMPAESNEOJM-RGIWONJESA-N	2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone
hmdb:HMDB0060251 DLBRMPAESNEOJM-RGIWONJESA-N	2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone 3-[(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-methoxy-2-methyl-1,4-benzoquinone 3-[(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-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione 5-Demethoxyubiquinone-10
metacyc.compound:CPD-11660 metacycM:CPD-11660 seed.compound:cpd23044 seedM:cpd23044 DLBRMPAESNEOJM-RGIWONJESA-N	2-decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone
lipidmaps:LMPR02010032 lipidmapsM:LMPR02010032 vmhM:2dp6mobq_me vmhmetabolite:2dp6mobq_me DLBRMPAESNEOJM-RGIWONJESA-N	2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone 3-[(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-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
hmdb:HMDB60251 biggM:M_2dp6mobq_me seedM:M_cpd23044 vmhM:M_2dp6mobq_me	secondary/obsolete/fantasy identifier