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

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4-deoxy-4-formamido-alpha-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphate

	Properties	Image
MNX_ID	MNXM1364672
reference	chebi:58909
formula	C₆₁H₉₉NO₈P
global charge	-1
mol weight	1005.436
InChIKey	KDTATMYQJZYGGT-CRHUQJHVSA-M
InChI	InChI=1S/C61H100NO8P/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-69-71(66,67)70-61-60(65)59(64)58(45-68-61)62-46-63/h23,25,27,29,31,33,35,37,39,41,43,46,58-61,64-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,62,63)(H,66,67)/p-1/b48-25+,49-27+,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-/t58-,59-,60+,61-/m0/s1
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\COP(=O)([O-])O[C@@H]1OC[C@H](NC=O)[C@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C61H100NO8P/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-69-71(66,67)70-61-60(65)59(64)58(45-68-61)62-46-63/h23,25,27,29,31,33,35,37,39,41,43,46,58-61,64-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,62,63)(H,66,67)/b48-25+,49-27+,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-/t58-,59-,60+,61-/m0/s1
SMILES (mnx)	[CH3:1][C:47]([CH3:2])=[CH:23][CH2:13][CH2:24]/[C:48]([CH3:3])=[CH:25]/[CH2:14][CH2:26]/[C:49]([CH3:4])=[CH:27]/[CH2:15][CH2:28]/[C:50]([CH3:5])=[CH:29]\[CH2:16][CH2:30]/[C:51]([CH3:6])=[CH:31]\[CH2:17][CH2:32]/[C:52]([CH3:7])=[CH:33]\[CH2:18][CH2:34]/[C:53]([CH3:8])=[CH:35]\[CH2:19][CH2:36]/[C:54]([CH3:9])=[CH:37]\[CH2:20][CH2:38]/[C:55]([CH3:10])=[CH:39]\[CH2:21][CH2:40]/[C:56]([CH3:11])=[CH:41]\[CH2:22][CH2:42]/[C:57]([CH3:12])=[CH:43]\[CH2:44][O:69][P:71]([OH:66])(=[O:67])[O:70][C@H:61]1[C@H:60]([OH:65])[C@@H:59]([OH:64])[C@@H:58]([N:62]=[CH:46][OH:63])[CH2:45][O:68]1

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:58909 chebi:58909 KDTATMYQJZYGGT-CRHUQJHVSA-M	4-deoxy-4-formamido-alpha-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphate 4-deoxy-4-formamido-1-O-({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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-yl]oxy}phosphinato)-alpha-L-arabinopyranose 4-deoxy-4-formamido-alpha-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphate(1-) 4-deoxy-4-formamido-alpha-L-arabinopyranosyl di-trans-poly-cis-undecaprenyl phosphate anion 4-deoxy-4-formamido-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate(1-) 4-deoxy-4-formamido-alpha-L-arabinopyranosyl undecaprenyl phosphate anion Undecaprenyl phosphate alpha-L-Ara4FN anion Undecaprenyl phosphate alpha-L-Ara4FN(1-)
metacyc.compound:CPD0-888 metacycM:CPD0-888 KDTATMYQJZYGGT-CRHUQJHVSA-M	4-deoxy-4-formamido-alpha-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphate 4-deoxy-4-formamido-alpha-L-arabinopyranosyl undecaprenyl phosphate undecaprenyl phosphate-L-Ara4-Formyl-N undecaprenyl phosphate-alpha-L-Ara4FN
CHEBI:53028 chebi:53028 KDTATMYQJZYGGT-CRHUQJHVSA-N	4-deoxy-4-formamido-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate 4-deoxy-4-formamido-1-O-(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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-yl]oxy}phosphoryl)-alpha-L-arabinopyranose Undecaprenyl phosphate alpha-L-Ara4FN
vmhM:ucnlpa vmhmetabolite:ucnlpa KDTATMYQJZYGGT-CRHUQJHVSA-N	Undecaprenyl phosphate alpha-L-Ara4FN
seed.compound:cpd14877 seedM:cpd14877 KDTATMYQJZYGGT-CRHUQJHVSA-M	Undecaprenyl phosphate alpha-L-Ara4FN 4-Deoxy-4-formamido-alpha-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphate 4-deoxy-4-formamido-alpha-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphate 4-deoxy-4-formamido-alpha-L-arabinopyranosyl undecaprenyl phosphate undecaprenyl phosphate-L-Ara4-Formyl-N undecaprenyl phosphate-alpha-L-Ara4FN
chebi:60394 chebi:60469 seedM:M_cpd14877 vmhM:M_ucnlpa	secondary/obsolete/fantasy identifier