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

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alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octa-cis-decaprenol

	Properties	Image
MNX_ID	MNXM1364557
reference	chebi:67209
formula	C₆₄H₁₀₅NO₁₆P₂
global charge	-2
mol weight	1206.483
InChIKey	LTCQFZLIKIMFIG-DRJIPIRHSA-L
InChI	InChI=1S/C64H107NO16P2/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)41-42-76-82(72,73)81-83(74,75)80-63-57(65-55(13)67)62(59(69)56(43-66)78-63)79-64-61(71)60(70)58(68)54(12)77-64/h23,25,27,29,31,33,35,37,39,41,54,56-64,66,68-71H,14-22,24,26,28,30,32,34,36,38,40,42-43H2,1-13H3,(H,65,67)(H,72,73)(H,74,75)/p-2/b45-25+,46-27-,47-29-,48-31-,49-33-,50-35-,51-37-,52-39-,53-41-/t54-,56+,57+,58-,59+,60+,61+,62+,63+,64-/m0/s1
SMILES	CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/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)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C64H107NO16P2/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)41-42-76-82(72,73)81-83(74,75)80-63-57(65-55(13)67)62(59(69)56(43-66)78-63)79-64-61(71)60(70)58(68)54(12)77-64/h23,25,27,29,31,33,35,37,39,41,54,56-64,66,68-71H,14-22,24,26,28,30,32,34,36,38,40,42-43H2,1-13H3,(H,65,67)(H,72,73)(H,74,75)/b45-25+,46-27-,47-29-,48-31-,49-33-,50-35-,51-37-,52-39-,53-41-/t54-,56+,57+,58-,59+,60+,61+,62+,63+,64-/m0/s1
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][O:76][P:82]([OH:72])(=[O:73])[O:81][P:83]([OH:74])(=[O:75])[O:80][C@@H:63]1[C@H:57]([N:65]=[C:55]([CH3:13])[OH:67])[C@@H:62]([O:79][C@H:64]2[C@H:61]([OH:71])[C@H:60]([OH:70])[C@@H:58]([OH:68])[C@H:54]([CH3:12])[O:77]2)[C@H:59]([OH:69])[C@@H:56]([CH2:43][OH:66])[O:78]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:67209 chebi:67209 LTCQFZLIKIMFIG-DRJIPIRHSA-L	alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octa-cis-decaprenol 6-deoxy-alpha-L-mannopyranosyl-(1->3)-2-acetamido-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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]oxy}phosphinato)oxy]phosphinato}-2-deoxy-alpha-D-glucopyranose alpha-L-Rha-(1->3)-alpha-D-GlcNAc-1-diphospho-trans,octacis-decaprenol(2-) alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol(2-) alpha-L-rhamnopyranosyl-(1->3)-2-acetamido-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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]oxy}phosphinato)oxy]phosphinato}-2-deoxy-alpha-D-glucopyranose alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,octacis-decaprenol(2-)
seed.compound:cpd23198 seedM:cpd23198 LTCQFZLIKIMFIG-DRJIPIRHSA-L	Rha-GlcNAc-P-P-C50 alpha-L-Rhap-(1->3)-alpha-D-GlcNAc-P-P-C50 alpha-L-rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol decaprenyl N-acetyl-glucosaminyl-N-rhamnosyl pyrophosphate glycolipid 2 rhamnosyl-N-acetyl-glucosaminyl-decaprenyl diphosphate
seed.compound:cpd31095 seedM:cpd31095 LTCQFZLIKIMFIG-DRJIPIRHSA-L	alpha-L-Rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol
CHEBI:67253 chebi:67253 LTCQFZLIKIMFIG-DRJIPIRHSA-N	alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol 6-deoxy-alpha-L-mannopyranosyl-(1->3)-2-acetamido-1-O-[{[{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-D-glucopyranose alpha-L-Rha-(1->3)-alpha-D-GlcNAc-1-diphospho-trans,octacis-decaprenol alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,octacis-decaprenol beta-D-galactofuranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->3)-2-acetamido-1-O-[{[{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-D-glucopyranose
metacyc.compound:CPD-12028 metacycM:CPD-12028 LTCQFZLIKIMFIG-DRJIPIRHSA-L	alpha-L-rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol Rha-GlcNAc-P-P-C50 alpha-L-Rhap-(1->3)-alpha-D-GlcNAc-P-P-C50 decaprenyl N-acetyl-glucosaminyl-N-rhamnosyl pyrophosphate glycolipid 2 rhamnosyl-N-acetyl-glucosaminyl-decaprenyl diphosphate
seedM:M_cpd23198 seedM:M_cpd31095	secondary/obsolete/fantasy identifier