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alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate

PropertiesImage
MNX_IDMNXM1363916 Image of MNXM1363916
referencechebi:61496
formulaC79H126N3O22P2
global charge-3
mol weight1531.824
InChIKeyPSONHUYFSWYIME-QSIPGKSISA-K
InChIInChI=1S/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/p-3/b51-29+,52-31+,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+,75+,77-,78-,79-/m1/s1
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[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)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@H](C(=O)[O-])[C@@H](O[C@H]2O[C@H](C)[C@H](NC(C)=O)[C@H](O)[C@H]2O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/b51-29+,52-31+,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+,75+,77-,78-,79-/m1/s1 Image of MNXM1363916
SMILES (mnx)[CH3:1][C:50]([CH3:2])=[CH:27][CH2:17][CH2:28]/[C:51]([CH3:3])=[CH:29]/[CH2:18][CH2:30]/[C:52]([CH3:4])=[CH:31]/[CH2:19][CH2:32]/[C:53]([CH3:5])=[CH:33]\[CH2:20][CH2:34]/[C:54]([CH3:6])=[CH:35]\[CH2:21][CH2:36]/[C:55]([CH3:7])=[CH:37]\[CH2:22][CH2:38]/[C:56]([CH3:8])=[CH:39]\[CH2:23][CH2:40]/[C:57]([CH3:9])=[CH:41]\[CH2:24][CH2:42]/[C:58]([CH3:10])=[CH:43]\[CH2:25][CH2:44]/[C:59]([CH3:11])=[CH:45]\[CH2:26][CH2:46]/[C:60]([CH3:12])=[CH:47]\[CH2:48][O:97][P:105]([OH:93])(=[O:94])[O:104][P:106]([OH:95])(=[O:96])[O:103][C@@H:78]1[C@H:68]([N:82]=[C:64]([CH3:16])[OH:86])[C@@H:70]([OH:88])[C@H:73]([O:100][C@H:77]2[C@@H:67]([N:81]=[C:63]([CH3:15])[OH:85])[C@@H:71]([OH:89])[C@H:74]([O:101][C@@H:79]3[C@H:72]([OH:90])[C@@H:69]([OH:87])[C@@H:66]([N:80]=[C:62]([CH3:14])[OH:84])[C@@H:61]([CH3:13])[O:98]3)[C@@H:75]([C:76](=[O:91])[OH:92])[O:102]2)[C@@H:65]([CH2:49][OH:83])[O:99]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61496
chebi:61496
PSONHUYFSWYIME-QSIPGKSISA-K 		alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate
4-acetamido-4,6-dideoxy-alpha-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-mannopyranuronosyl-(1->4)-2-acetamido-2-deoxy-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)oxy]phosphinato}-alpha-D-glucopyranose
C55-PP-GlcNAc-ManNAcA-Fuc4NAc
ManNAcA-GlcNAc-Fuc4NAc-PP-lipid
ManNAcA-GlcNAc-Fuc4NAc-pyrophosphorylundecaprenol
N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose undecaprenyl pyrophosphate(3-)
Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose
alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate(3-)
lipid III

seed.compound:cpd31144
seedM:cpd31144
PSONHUYFSWYIME-QSIPGKSISA-K 		4-Acetamido-4,6-dideoxy-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-mannosaminuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
Lipid III
Und-PP-GlcNAc-ManNAcA-Fuc4NAc

seed.compound:cpd15582
seedM:cpd15582
PSONHUYFSWYIME-QSIPGKSISA-K 		Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose
(enterobacterial common antigen)-undecaprenyl diphosphate
C55-PP-GlcNAc-ManNAcA-Fuc4NAc
ManNAcA-GlcNAc-Fuc4NAc-PP-lipid
ManNAcA-GlcNAc-Fuc4NAc-pyrophosphorylundecaprenol
N-acetyl-alpha-D-fucosyl-(1->4)-N-acetyl-beta-D-mannosaminouronyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
lipid III
unagamuf
undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate

metacyc.compound:C55-PP-GLCNAC-MANNACA-FUC4NAC
metacycM:C55-PP-GLCNAC-MANNACA-FUC4NAC
PSONHUYFSWYIME-QSIPGKSISA-K 		alpha-D-Fuc4NAc-(1->4)-beta-D-ManNAcA-(1->4)-GlcNAc-PP-Und
(enterobacterial common antigen monomer)-undecaprenyl diphosphate
ECA-lipid III
Fuc4NAc--ManNAcA-GlcNAc-pyrophosphorylundecaprenol
Fuc4NAc-ManNAcA-GlcNAc-C55-PP
Fuc4NAc-ManNAcA-GlcNAc-PP-lipid
alpha-D-fucosyl-(1->4)-N-acetyl-N-acetyl-beta-D-mannosaminouronyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
lipid III

seedM:M_cpd15582
seedM:M_cpd31144 		secondary/obsolete/fantasy identifier