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

Feedback

2-Methyl-6-solanyl-1,4-benzoquinol

MNXM5474 is deprecated and here replaced by MNXM1370219
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1370219
reference	keggC:C17570
formula	C₅₂H₈₀O₂
global charge	0
mol weight	737.21
InChIKey	SWKACZQJGXABCN-JSGWLJPKSA-N
InChI	InChI=1S/C52H80O2/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-50-39-51(53)38-49(11)52(50)54/h20,22,24,26,28,30,32,34,36,38-39,53-54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+
SMILES	CC(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/CC/C(C)=C/CC1=C(O)C(C)=CC(O)=C1

MNX internals

InChI (mnx)	InChI=1/C52H80O2/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-50-39-51(53)38-49(11)52(50)54/h20,22,24,26,28,30,32,34,36,38-39,53-54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+
SMILES (mnx)	[CH3:1][C:40]([CH3:2])=[CH:20][CH2:12][CH2:21]/[C:41]([CH3:3])=[CH:22]/[CH2:13][CH2:23]/[C:42]([CH3:4])=[CH:24]/[CH2:14][CH2:25]/[C:43]([CH3:5])=[CH:26]/[CH2:15][CH2:27]/[C:44]([CH3:6])=[CH:28]/[CH2:16][CH2:29]/[C:45]([CH3:7])=[CH:30]/[CH2:17][CH2:31]/[C:46]([CH3:8])=[CH:32]/[CH2:18][CH2:33]/[C:47]([CH3:9])=[CH:34]/[CH2:19][CH2:35]/[C:48]([CH3:10])=[CH:36]/[CH2:37][C:50]1=[C:52]([OH:54])[C:49]([CH3:11])=[CH:38][C:51]([OH:53])=[CH:39]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C17570 keggC:C17570 SWKACZQJGXABCN-JSGWLJPKSA-N	2-Methyl-6-solanyl-1,4-benzoquinol 2-Methyl-6-all-trans-nonaprenylbenzene-1,4-diol 2-Methyl-6-nonaprenyl-benzene-1,4-diol 2-Methyl-6-solanesylbenzene-1,4-diol MSBQ
hmdb:HMDB0304078 SWKACZQJGXABCN-JSGWLJPKSA-N	2-methyl-6-solanyl-1,4-benzoquinol 2-Methyl-6-all-trans-nonaprenylbenzene-1,4-diol 2-Methyl-6-nonaprenyl-benzene-1,4-diol 2-Methyl-6-solanesylbenzene-1,4-diol 2-Methyl-6-solanyl-1,4-benzoquinone 2-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzene-1,4-diol MSBQ
keggC:M_C17570	secondary/obsolete/fantasy identifier