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

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all-trans-undecaprenol

MNXM739544 is deprecated and replaced by MNXM739543

	Properties	Image
MNX_ID	MNXM739543
reference	chebi:16591
formula	C₅₅H₉₀O
global charge	0
mol weight	767.324
InChIKey	TXKJNHBRVLCYFX-RDQGWRCRSA-N
InChI	InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+
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/CC/C(C)=C/CC/C(C)=C/CO

MNX internals

InChI (mnx)	InChI=1/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+
SMILES (mnx)	[CH3:1][C:45]([CH3:2])=[CH:23][CH2:13][CH2:24]/[C:46]([CH3:3])=[CH:25]/[CH2:14][CH2:26]/[C:47]([CH3:4])=[CH:27]/[CH2:15][CH2:28]/[C:48]([CH3:5])=[CH:29]/[CH2:16][CH2:30]/[C:49]([CH3:6])=[CH:31]/[CH2:17][CH2:32]/[C:50]([CH3:7])=[CH:33]/[CH2:18][CH2:34]/[C:51]([CH3:8])=[CH:35]/[CH2:19][CH2:36]/[C:52]([CH3:9])=[CH:37]/[CH2:20][CH2:38]/[C:53]([CH3:10])=[CH:39]/[CH2:21][CH2:40]/[C:54]([CH3:11])=[CH:41]/[CH2:22][CH2:42]/[C:55]([CH3:12])=[CH:43]/[CH2:44][OH:56]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16591 chebi:16591 TXKJNHBRVLCYFX-RDQGWRCRSA-N	all-trans-undecaprenol (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol Undecaprenol
sabiork.compound:5918 sabiorkM:5918 TXKJNHBRVLCYFX-RDQGWRCRSA-N	Undecaprenol
metacyc.compound:CPD-188 metacycM:CPD-188 seed.compound:cpd24358 seedM:cpd24358 SLM:000597990 slm:000597990 TXKJNHBRVLCYFX-RDQGWRCRSA-N	all-trans-undecaprenol
lipidmaps:LMPR03010007 lipidmapsM:LMPR03010007 TXKJNHBRVLCYFX-RDQGWRCRSA-N	undecaprenol 3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42-undecaen-1-ol Undecaprenol
chebi:15283 chebi:9862 seedM:M_cpd24358	secondary/obsolete/fantasy identifier