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

PropertiesImage
MNX_IDMNXM41239 Image of MNXM41239
referencechebi:148394
formulaC36H62O31
global charge0
mol weight990.861
InChIKeyBTPNFLWDUYVKEU-WDYVBLOXSA-N
InChIInChI=1S/C36H62O31/c37-1-7-14(44)20(50)27(31(56)57-7)64-35-30(23(53)17(47)10(4-40)61-35)67-36-29(22(52)16(46)11(5-41)62-36)66-33-25(55)26(18(48)12(6-42)59-33)63-34-28(21(51)15(45)9(3-39)60-34)65-32-24(54)19(49)13(43)8(2-38)58-32/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m1/s1
SMILESOC[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@@H]4[C@@H](O[C@@H]5[C@@H](O[C@H]6[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C36H62O31/c37-1-7-14(44)20(50)27(31(56)57-7)64-35-30(23(53)17(47)10(4-40)61-35)67-36-29(22(52)16(46)11(5-41)62-36)66-33-25(55)26(18(48)12(6-42)59-33)63-34-28(21(51)15(45)9(3-39)60-34)65-32-24(54)19(49)13(43)8(2-38)58-32/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m1/s1 Image of MNXM41239
SMILES (mnx)[CH2:1]([C@@H:7]1[C@@H:14]([OH:44])[C@H:20]([OH:50])[C@H:27]([O:64][C@@H:35]2[C@@H:30]([O:67][C@@H:36]3[C@@H:29]([O:66][C@@H:33]4[C@@H:25]([OH:55])[C@@H:26]([O:63][C@@H:34]5[C@@H:28]([O:65][C@@H:32]6[C@@H:24]([OH:54])[C@@H:19]([OH:49])[C@H:13]([OH:43])[C@@H:8]([CH2:2][OH:38])[O:58]6)[C@@H:21]([OH:51])[C@H:15]([OH:45])[C@@H:9]([CH2:3][OH:39])[O:60]5)[C@H:18]([OH:48])[C@@H:12]([CH2:6][OH:42])[O:59]4)[C@@H:22]([OH:52])[C@H:16]([OH:46])[C@@H:11]([CH2:5][OH:41])[O:62]3)[C@@H:23]([OH:53])[C@H:17]([OH:47])[C@@H:10]([CH2:4][OH:40])[O:61]2)[C@@H:31]([OH:56])[O:57]1)[OH:37]
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:148394
chebi:148394
BTPNFLWDUYVKEU-WDYVBLOXSA-N 		(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
Man(a1-2)Man(a1-3)Man(a1-2)Man(a1-2)Man(a1-2)a-Man
WURCS=2.0/1,6,5/[a1122h-1a_1-5]/1-1-1-1-1-1/a2-b1_b2-c1_c2-d1_d3-e1_e2-f1
alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranose

CHEBI:59618
chebi:59618
BTPNFLWDUYVKEU-NUPSYLCNSA-N 		alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-D-Manp
Manalpha1-2Manalpha1-3Manalpha1-2Manalpha1-2Manalpha1-2Man
WURCS=2.0/2,6,5/[a1122h-1x_1-5][a1122h-1a_1-5]/1-2-2-2-2-2/a2-b1_b2-c1_c2-d1_d3-e1_e2-f1
alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-D-Man
alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-D-mannopyranose
alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-D-mannose