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

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beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans-octa-cis-decaprenol

	Properties	Image
MNX_ID	MNXM1106199
reference	chebi:67211
formula	C₇₀H₁₁₅NO₂₁P₂
global charge	-2
mol weight	1368.624
InChIKey	CIWORBPAKLZHPO-GGMIFMEYSA-L
InChI	InChI=1S/C70H117NO21P2/c1-45(2)23-14-24-46(3)25-15-26-47(4)27-16-28-48(5)29-17-30-49(6)31-18-32-50(7)33-19-34-51(8)35-20-36-52(9)37-21-38-53(10)39-22-40-54(11)41-42-85-93(81,82)92-94(83,84)91-68-59(71-56(13)74)67(60(76)58(44-73)87-68)90-69-63(79)61(77)65(55(12)86-69)88-70-64(80)62(78)66(89-70)57(75)43-72/h23,25,27,29,31,33,35,37,39,41,55,57-70,72-73,75-80H,14-22,24,26,28,30,32,34,36,38,40,42-44H2,1-13H3,(H,71,74)(H,81,82)(H,83,84)/p-2/b46-25+,47-27-,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-/t55-,57+,58+,59+,60+,61-,62+,63+,64+,65-,66-,67+,68+,69-,70+/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]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C70H117NO21P2/c1-45(2)23-14-24-46(3)25-15-26-47(4)27-16-28-48(5)29-17-30-49(6)31-18-32-50(7)33-19-34-51(8)35-20-36-52(9)37-21-38-53(10)39-22-40-54(11)41-42-85-93(81,82)92-94(83,84)91-68-59(71-56(13)74)67(60(76)58(44-73)87-68)90-69-63(79)61(77)65(55(12)86-69)88-70-64(80)62(78)66(89-70)57(75)43-72/h23,25,27,29,31,33,35,37,39,41,55,57-70,72-73,75-80H,14-22,24,26,28,30,32,34,36,38,40,42-44H2,1-13H3,(H,71,74)(H,81,82)(H,83,84)/b46-25+,47-27-,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-/t55-,57+,58+,59+,60+,61-,62+,63+,64+,65-,66-,67+,68+,69-,70+/m0/s1
SMILES (mnx)	[CH3:1][C:45]([CH3:2])=[CH:23][CH2:14][CH2:24]/[C:46]([CH3:3])=[CH:25]/[CH2:15][CH2:26]/[C:47]([CH3:4])=[CH:27]\[CH2:16][CH2:28]/[C:48]([CH3:5])=[CH:29]\[CH2:17][CH2:30]/[C:49]([CH3:6])=[CH:31]\[CH2:18][CH2:32]/[C:50]([CH3:7])=[CH:33]\[CH2:19][CH2:34]/[C:51]([CH3:8])=[CH:35]\[CH2:20][CH2:36]/[C:52]([CH3:9])=[CH:37]\[CH2:21][CH2:38]/[C:53]([CH3:10])=[CH:39]\[CH2:22][CH2:40]/[C:54]([CH3:11])=[CH:41]\[CH2:42][O:85][P:93]([OH:81])(=[O:82])[O:92][P:94]([OH:83])(=[O:84])[O:91][C@@H:68]1[C@H:59]([N:71]=[C:56]([CH3:13])[OH:74])[C@@H:67]([O:90][C@H:69]2[C@H:63]([OH:79])[C@H:61]([OH:77])[C@@H:65]([O:88][C@H:70]3[C@H:64]([OH:80])[C@@H:62]([OH:78])[C@H:66]([C@@H:57]([CH2:43][OH:72])[OH:75])[O:89]3)[C@H:55]([CH3:12])[O:86]2)[C@H:60]([OH:76])[C@@H:58]([CH2:44][OH:73])[O:87]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67211 chebi:67211 CIWORBPAKLZHPO-GGMIFMEYSA-L	beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans-octa-cis-decaprenol beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol(2-) beta-D-galactofuranosyl-(1->4)-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 beta-D-galactofuranosyl-(1->4)-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 beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl-1-diphospho-trans,octacis-decaprenol(2-) galactofuranosyl-rhamnosyl-N-acetyl-glucosaminyl-decaprenyl diphosphate
CHEBI:67241 chebi:67241 CIWORBPAKLZHPO-GGMIFMEYSA-N	beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol beta-D-galactofuranosyl-(1->4)-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 beta-D-galactofuranosyl-(1->4)-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}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-D-glucopyranose beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl-1-diphospho-trans,octacis-decaprenol galactofuranosyl-rhamnosyl-N-acetyl-glucosaminyl-decaprenyl diphosphate
seed.compound:cpd23199 seedM:cpd23199 CIWORBPAKLZHPO-GGMIFMEYSA-L	beta-D-Galf-Rha-GlcNAc-P-P-C50 beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol galactofuranosyl-rhamnosyl-N-acetyl-glucosaminyl-decaprenyl diphosphate
metacyc.compound:CPD-12029 metacycM:CPD-12029 CIWORBPAKLZHPO-GGMIFMEYSA-L	beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol beta-D-Galf-Rha-GlcNAc-P-P-C50 galactofuranosyl-rhamnosyl-N-acetyl-glucosaminyl-decaprenyl diphosphate
seedM:M_cpd23199	secondary/obsolete/fantasy identifier