Search MNXref
 Feedback

beta1,4-GalNAc-disialyl-Lc4

PropertiesImage
MNX_IDMNXM1112813 Image of MNXM1112813
referencechebi:146807
formulaC56H92N4O42
global charge0
mol weight1493.338
InChIKeyADHYCSCAYMZNRY-ALFFWPGUSA-N
InChIInChI=1S/C56H92N4O42/c1-14(67)57-27-18(71)5-55(53(86)87,100-44(27)31(75)20(73)7-61)90-13-26-35(79)43(30(60-17(4)70)50(95-26)99-46-34(78)23(10-64)93-51(39(46)83)96-41-24(11-65)91-48(85)38(82)37(41)81)98-52-40(84)47(42(25(12-66)94-52)97-49-29(59-16(3)69)36(80)33(77)22(9-63)92-49)102-56(54(88)89)6-19(72)28(58-15(2)68)45(101-56)32(76)21(74)8-62/h18-52,61-66,71-85H,5-13H2,1-4H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,86,87)(H,88,89)/t18-,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-,55+,56-/m0/s1
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)[C@@H]4O)[C@@H]3NC(C)=O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C56H92N4O42/c1-14(67)57-27-18(71)5-55(53(86)87,100-44(27)31(75)20(73)7-61)90-13-26-35(79)43(30(60-17(4)70)50(95-26)99-46-34(78)23(10-64)93-51(39(46)83)96-41-24(11-65)91-48(85)38(82)37(41)81)98-52-40(84)47(42(25(12-66)94-52)97-49-29(59-16(3)69)36(80)33(77)22(9-63)92-49)102-56(54(88)89)6-19(72)28(58-15(2)68)45(101-56)32(76)21(74)8-62/h18-52,61-66,71-85H,5-13H2,1-4H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,86,87)(H,88,89)/t18-,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-,55+,56-/m0/s1 Image of MNXM1112813
SMILES (mnx)[CH3:1][C:14](=[N:57][C@@H:27]1[C@@H:18]([OH:71])[CH2:5][C@@:55]([C:53](=[O:86])[OH:87])([O:90][CH2:13][C@@H:26]2[C@@H:35]([OH:79])[C@H:43]([O:98][C@H:52]3[C@H:40]([OH:84])[C@@H:47]([O:102][C@:56]4([C:54](=[O:88])[OH:89])[CH2:6][C@H:19]([OH:72])[C@@H:28]([N:58]=[C:15]([CH3:2])[OH:68])[C@H:45]([C@@H:32]([C@@H:21]([CH2:8][OH:62])[OH:74])[OH:76])[O:101]4)[C@@H:42]([O:97][C@H:49]4[C@H:29]([N:59]=[C:16]([CH3:3])[OH:69])[C@@H:36]([OH:80])[C@@H:33]([OH:77])[C@@H:22]([CH2:9][OH:63])[O:92]4)[C@@H:25]([CH2:12][OH:66])[O:94]3)[C@@H:30]([N:60]=[C:17]([CH3:4])[OH:70])[C@H:50]([O:99][C@H:46]3[C@@H:34]([OH:78])[C@@H:23]([CH2:10][OH:64])[O:93][C@@H:51]([O:96][C@@H:41]4[C@@H:24]([CH2:11][OH:65])[O:91][C@@H:48]([OH:85])[C@H:38]([OH:82])[C@H:37]4[OH:81])[C@@H:39]3[OH:83])[O:95]2)[O:100][C@H:44]1[C@@H:31]([C@@H:20]([CH2:7][OH:61])[OH:73])[OH:75])[OH:67]
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:146807
chebi:146807
ADHYCSCAYMZNRY-ALFFWPGUSA-N 		beta1,4-GalNAc-disialyl-Lc4
(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R,3R,4R,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-3)Gal(b1-4)b-Glc
NeuAcalpha2-3(GalNAcbeta1-4)Galbeta1-3(NeuAcalpha2-6)GlcNAcbeta1-3Galbeta1-4Glcbeta
RM2 antigen
WURCS=2.0/5,7,6/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-2-4-5-4/a4-b1_b3-c1_c3-d1_c6-g2_d3-e2_d4-f1
beta-D-GlcNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc
beta-DGlcpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-beta-DGlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp