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(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine

PropertiesImage
MNX_IDMNXM1103678 Image of MNXM1103678
referencechebi:188319
formulaC26H45NO21
global charge0
mol weight707.632
InChIKeyANPUOEHHKRCFGW-NRDBFSGKSA-N
InChIInChI=1S/C26H45NO21/c1-6(32)27-11-15(36)20(10(5-31)42-23(11)41)46-25-18(39)22(14(35)8(3-29)44-25)48-26-19(40)21(13(34)9(4-30)45-26)47-24-17(38)16(37)12(33)7(2-28)43-24/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26+/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](O[C@H]3O[C@@H](CO)[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]2O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C26H45NO21/c1-6(32)27-11-15(36)20(10(5-31)42-23(11)41)46-25-18(39)22(14(35)8(3-29)44-25)48-26-19(40)21(13(34)9(4-30)45-26)47-24-17(38)16(37)12(33)7(2-28)43-24/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26+/m0/s1 Image of MNXM1103678
SMILES (mnx)[CH3:1][C:6](=[N:27][C@@H:11]1[C@@H:15]([OH:36])[C@H:20]([O:46][C@@H:25]2[C@H:18]([OH:39])[C@H:22]([O:48][C@@H:26]3[C@H:19]([OH:40])[C@H:21]([O:47][C@H:24]4[C@H:17]([OH:38])[C@H:16]([OH:37])[C@@H:12]([OH:33])[C@H:7]([CH2:2][OH:28])[O:43]4)[C@@H:13]([OH:34])[C@H:9]([CH2:4][OH:30])[O:45]3)[C@@H:14]([OH:35])[C@H:8]([CH2:3][OH:29])[O:44]2)[C@@H:10]([CH2:5][OH:31])[O:42][C@H:23]1[OH:41])[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:188319
chebi:188319
ANPUOEHHKRCFGW-NRDBFSGKSA-N 		(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine
N-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
hmdb:HMDB0006537
ANPUOEHHKRCFGW-NRDBFSGKSA-N 		(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine
(a-D-Mannosyl)2-b-D-mannosyl-N-acetylglucosamine
(alpha-D-Mannosyl)2-beta-D-mannosyl-N-acetylglucosamine
(alpha-D-mannosyl)2-beta-D-mannosyl-N-acetylglucosamine
(alpha-delta-Mannosyl)2-beta-delta-mannosyl-N-acetylglucosamine
N-[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6S)-4-{[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
N-[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6S)-4-{[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidate

bigg.metabolite:m2mn
biggM:m2mn
ANPUOEHHKRCFGW-NRDBFSGKSA-N 		(alpha-D-mannosyl)2-beta-D-mannosyl-N-acetylglucosamine

vmhM:m2mn
vmhmetabolite:m2mn
ANPUOEHHKRCFGW-NRDBFSGKSA-N 		(alpha-D-mannosyl)2-beta-D-mannosyl-N-acetylglucosamine
N-[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6S)-4-{[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-

hmdb:HMDB06537
biggM:M_m2mn
vmhM:M_m2mn 		secondary/obsolete/fantasy identifier