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N-acetyl-alpha-D-galactosaminyl-(1->4)-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tri-trans,heptacis-undecaprenyl diphosphate

PropertiesImageOccurences in reactions
MNX_IDMNXM97088Image of MNXM97088
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
formulaC81H132N4O21P2
charge-2
mass1559.9
referencechebi:68651
InChIKeyYKMPJLRXZZMPEK-PTNPFIJJSA-L
InChIInChI=1S/C81H134N4O21P2/c1-52(2)28-18-29-53(3)30-19-31-54(4)32-20-33-55(5)34-21-35-56(6)36-22-37-57(7)38-23-39-58(8)40-24-41-59(9)42-25-43-60(10)44-26-45-61(11)46-27-47-62(12)48-49-99-107(95,96)106-108(97,98)105-81-73(85-67(17)91)78(70(63(13)100-81)82-64(14)88)104-80-72(84-66(16)90)76(94)77(69(51-87)102-80)103-79-71(83-65(15)89)75(93)74(92)68(50-86)101-79/h28,30,32,34,36,38,40,42,44,46,48,63,68-81,86-87,92-94H,18-27,29,31,33,35,37,39,41,43,45,47,49-51H2,1-17H3,(H,82,88)(H,83,89)(H,84,90)(H,85,91)(H,95,96)(H,97,98)/p-2/b53-30+,54-32+,55-34+,56-36-,57-38-,58-40-,59-42-,60-44-,61-46-,62-48-/t63-,68-,69-,70-,71-,72-,73-,74+,75-,76-,77+,78+,79-,80-,81-/m1/s1
SMILES[CH3:1][C:52]([CH3:2])=[CH:28][CH2:18][CH2:29]/[C:53]([CH3:3])=[CH:30]/[CH2:19][CH2:31]/[C:54]([CH3:4])=[CH:32]/[CH2:20][CH2:33]/[C:55]([CH3:5])=[CH:34]/[CH2:21][CH2:35]/[C:56]([CH3:6])=[CH:36]\[CH2:22][CH2:37]/[C:57]([CH3:7])=[CH:38]\[CH2:23][CH2:39]/[C:58]([CH3:8])=[CH:40]\[CH2:24][CH2:41]/[C:59]([CH3:9])=[CH:42]\[CH2:25][CH2:43]/[C:60]([CH3:10])=[CH:44]\[CH2:26][CH2:45]/[C:61]([CH3:11])=[CH:46]\[CH2:27][CH2:47]/[C:62]([CH3:12])=[CH:48]\[CH2:49][O:99][P:107]([OH:95])(=[O:96])[O:106][P:108]([OH:97])(=[O:98])[O:105][C@@H:81]1[C@H:73]([N:85]=[C:67]([CH3:17])[OH:91])[C@@H:78]([O:104][C@@H:80]2[C@H:72]([N:84]=[C:66]([CH3:16])[OH:90])[C@@H:76]([OH:94])[C@@H:77]([O:103][C@@H:79]3[C@H:71]([N:83]=[C:65]([CH3:15])[OH:89])[C@@H:75]([OH:93])[C@@H:74]([OH:92])[C@@H:68]([CH2:50][OH:86])[O:101]3)[C@@H:69]([CH2:51][OH:87])[O:102]2)[C@H:70]([N:82]=[C:64]([CH3:14])[OH:88])[C@@H:63]([CH3:13])[O:100]1
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:68651
chebi:68651 		N-acetyl-alpha-D-galactosaminyl-(1->4)-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tri-trans,heptacis-undecaprenyl diphosphate
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-2,4-diacetamido-2,4,6-trideoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,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-yl]oxy}phosphinato)oxy]phosphinato}-alpha-D-glucopyranose
N-acetyl-alpha-D-galactosaminyl-(1->4)-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate
N-acetyl-alpha-D-galactosaminyl-(1->4)-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2-)
alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate
alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2-)
seed.compound:cpd24253
seedM:cpd24253 		(N-acetylgalactosaminyl)2-N,N'-diacetylbacillosaminyl-diphospho-di-trans,octa-cis-undecaprenol
(N-acetylgalactosaminyl)2-N,N'-diacetylbacillosaminyl-diphospho-tri-trans,hepta-cis-undecaprenol
GalNAc-alpha-(1->4)-GalNAc-alpha-(1->3)-diNAcBac-PP-tritrans,heptacis-undecaprenol
N-acetyl-D-galactosaminyl-alpha-(1->4)-N-acetyl-D-galactosaminyl-alpha-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-diphospho-tritrans,heptacis-undecaprenol
N-acetylgalactosaminyl-alpha1,4-N-acetylgalactosaminyl-alpha1,3-N,N'-diacetylbacillosaminyl-alpha1-diphospho-di-trans,octa-cis-undecaprenol
metacyc.compound:CPD-14257
metacycM:CPD-14257 		N-acetyl-D-galactosaminyl-alpha-(1->4)-N-acetyl-D-galactosaminyl-alpha-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-diphospho-tritrans,heptacis-undecaprenol
(N-acetylgalactosaminyl)2-N,N'-diacetylbacillosaminyl-diphospho-tri-trans,hepta-cis-undecaprenol
GalNAc-alpha-(1->4)-GalNAc-alpha-(1->3)-diNAcBac-PP-tritrans,heptacis-undecaprenol
CHEBI:68827
chebi:68827 		alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-2,4-diacetamido-2,4,6-trideoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,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-yl]oxy}phosphoryl)oxy]phosphoryl}-alpha-D-glucopyranose
N-acetyl-alpha-D-galactosaminyl-(1->4)-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate
seedM:M_cpd24253 secondary/obsolete/fantasy identifier