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

PropertiesImage
MNX_IDMNXM1113395 Image of MNXM1113395
referencechebi:147669
formulaC32H55NO26
global charge0
mol weight869.773
InChIKeyBOVONRDENJXRQJ-IHGLRESESA-N
InChIInChI=1S/C32H55NO26/c1-7(39)33-13-19(45)14(40)8(2-34)52-29(13)59-27-25(57-30-22(48)20(46)15(41)9(3-35)53-30)18(44)12(6-38)55-32(27)58-26-21(47)16(42)10(4-36)54-31(26)56-24-17(43)11(5-37)51-28(50)23(24)49/h8-32,34-38,40-50H,2-6H2,1H3,(H,33,39)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23+,24+,25+,26+,27+,28?,29-,30-,31-,32-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[C@@H]3[C@@H](O[C@H]4[C@H](O)[C@@H](CO)OC(O)[C@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C32H55NO26/c1-7(39)33-13-19(45)14(40)8(2-34)52-29(13)59-27-25(57-30-22(48)20(46)15(41)9(3-35)53-30)18(44)12(6-38)55-32(27)58-26-21(47)16(42)10(4-36)54-31(26)56-24-17(43)11(5-37)51-28(50)23(24)49/h8-32,34-38,40-50H,2-6H2,1H3,(H,33,39)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23+,24+,25+,26+,27+,28?,29-,30-,31-,32-/m1/s1 Image of MNXM1113395
SMILES (mnx)[CH3:1][C:7](=[N:33][C@@H:13]1[C@@H:19]([OH:45])[C@H:14]([OH:40])[C@@H:8]([CH2:2][OH:34])[O:52][C@@H:29]1[O:59][C@H:27]1[C@@H:25]([O:57][C@@H:30]2[C@@H:22]([OH:48])[C@@H:20]([OH:46])[C@H:15]([OH:41])[C@@H:9]([CH2:3][OH:35])[O:53]2)[C@H:18]([OH:44])[C@@H:12]([CH2:6][OH:38])[O:55][C@@H:32]1[O:58][C@H:26]1[C@@H:21]([OH:47])[C@H:16]([OH:42])[C@@H:10]([CH2:4][OH:36])[O:54][C@@H:31]1[O:56][C@H:24]1[C@H:17]([OH:43])[C@@H:11]([CH2:5][OH:37])[O:51][CH:28]([OH:50])[C@H:23]1[OH:49])[OH:39]
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:147669
chebi:147669
BOVONRDENJXRQJ-IHGLRESESA-N
N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->2)-[alpha-D-manno-hexopyranosyl-(1->3)]-alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-D-manno-hexopyranose
GlcNAc(a1-2)[Man(a1-3)]Man(a1-2)Man(a1-3)Man
WURCS=2.0/3,5,4/[a1122h-1x_1-5][a1122h-1a_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-2-3-2/a3-b1_b2-c1_c2-d1_c3-e1