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N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide

PropertiesImage
MNX_IDMNXM1113068 Image of MNXM1113068
referencechebi:147158
formulaC54H91N3O39
global charge0
mol weight1406.304
InChIKeySRZVLEXTSXNOPK-JPAFAPSXSA-N
InChIInChI=1S/C54H91N3O39/c1-12-26(65)34(73)38(77)50(84-12)82-11-22-43(32(71)23(47(81)86-22)55-14(3)62)92-48-24(56-15(4)63)33(72)42(20(9-61)90-48)93-53-41(80)45(95-52-40(79)36(75)28(67)17(6-58)88-52)31(70)21(91-53)10-83-54-46(37(76)29(68)18(7-59)89-54)96-49-25(57-16(5)64)44(30(69)19(8-60)87-49)94-51-39(78)35(74)27(66)13(2)85-51/h12-13,17-54,58-61,65-81H,6-11H2,1-5H3,(H,55,62)(H,56,63)(H,57,64)/t12-,13-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47+,48-,49-,50+,51-,52+,53-,54-/m0/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C54H91N3O39/c1-12-26(65)34(73)38(77)50(84-12)82-11-22-43(32(71)23(47(81)86-22)55-14(3)62)92-48-24(56-15(4)63)33(72)42(20(9-61)90-48)93-53-41(80)45(95-52-40(79)36(75)28(67)17(6-58)88-52)31(70)21(91-53)10-83-54-46(37(76)29(68)18(7-59)89-54)96-49-25(57-16(5)64)44(30(69)19(8-60)87-49)94-51-39(78)35(74)27(66)13(2)85-51/h12-13,17-54,58-61,65-81H,6-11H2,1-5H3,(H,55,62)(H,56,63)(H,57,64)/t12-,13-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47+,48-,49-,50+,51-,52+,53-,54-/m0/s1 Image of MNXM1113068
SMILES (mnx)[CH3:1][C@H:12]1[C@@H:26]([OH:65])[C@@H:34]([OH:73])[C@H:38]([OH:77])[C@H:50]([O:82][CH2:11][C@@H:22]2[C@@H:43]([O:92][C@H:48]3[C@H:24]([N:56]=[C:15]([CH3:4])[OH:63])[C@@H:33]([OH:72])[C@H:42]([O:93][C@H:53]4[C@@H:41]([OH:80])[C@@H:45]([O:95][C@@H:52]5[C@@H:40]([OH:79])[C@@H:36]([OH:75])[C@H:28]([OH:67])[C@@H:17]([CH2:6][OH:58])[O:88]5)[C@H:31]([OH:70])[C@@H:21]([CH2:10][O:83][C@@H:54]5[C@@H:46]([O:96][C@H:49]6[C@H:25]([N:57]=[C:16]([CH3:5])[OH:64])[C@@H:44]([O:94][C@H:51]7[C@@H:39]([OH:78])[C@H:35]([OH:74])[C@H:27]([OH:66])[C@H:13]([CH3:2])[O:85]7)[C@H:30]([OH:69])[C@@H:19]([CH2:8][OH:60])[O:87]6)[C@@H:37]([OH:76])[C@H:29]([OH:68])[C@@H:18]([CH2:7][OH:59])[O:89]5)[O:91]4)[C@@H:20]([CH2:9][OH:61])[O:90]3)[C@H:32]([OH:71])[C@@H:23]([N:55]=[C:14]([CH3:3])[OH:62])[C@H:47]([OH:81])[O:86]2)[O:84]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:147158
chebi:147158
SRZVLEXTSXNOPK-JPAFAPSXSA-N 		N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[alpha-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
Fuc(a1-3)GlcNAc(b1-2)Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc
WURCS=2.0/4,8,7/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-3-1-4-4/a4-b1_a6-h1_b4-c1_c3-d1_c6-e1_e2-f1_f3-g1

CHEBI:154903
chebi:154903
SRZVLEXTSXNOPK-KNNJWVFMSA-N 		N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[alpha-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose
Fuc(a1-3)GlcNAc(b1-2)Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
WURCS=2.0/5,8,7/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-4-2-5-5/a4-b1_a6-h1_b4-c1_c3-d1_c6-e1_e2-f1_f3-g1