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globo H

PropertiesImage
MNX_IDMNXM13344 Image of MNXM13344
referencemetacycM:Globo-H
formulaC57H99N2O32*
global charge0
mol weight 
InChIKey 
InChI 
SMILES[*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C58H102N2O32/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(68)28(59-26(3)66)24-81-54-45(78)42(75)48(33(22-64)86-54)88-56-46(79)43(76)49(34(23-65)87-56)89-57-47(80)51(39(72)32(21-63)84-57)91-53-35(60-27(4)67)50(38(71)31(20-62)83-53)90-58-52(41(74)37(70)30(19-61)85-58)92-55-44(77)40(73)36(69)25(2)82-55/h17-18,25,28-58,61-65,68-80H,5-16,19-24H2,1-4H3,(H,59,66)(H,60,67)/b18-17+/t25-,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+,55+,56-,57+,58-/m0/s1/i3+1 Image of MNXM13344
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]/[C@H:29]([C@H:28]([CH2:24][O:81][C@H:54]1[C@H:45]([OH:78])[C@@H:42]([OH:75])[C@H:48]([O:88][C@H:56]2[C@H:46]([OH:79])[C@@H:43]([OH:76])[C@@H:49]([O:89][C@@H:57]3[C@H:47]([OH:80])[C@@H:51]([O:91][C@H:53]4[C@H:35]([N:60]=[C:27]([CH3:4])[OH:67])[C@@H:50]([O:90][C@H:58]5[C@H:52]([O:92][C@@H:55]6[C@@H:44]([OH:77])[C@H:40]([OH:73])[C@H:36]([OH:69])[C@H:25]([CH3:2])[O:82]6)[C@@H:41]([OH:74])[C@@H:37]([OH:70])[C@@H:30]([CH2:19][OH:61])[O:85]5)[C@@H:38]([OH:71])[C@@H:31]([CH2:20][OH:62])[O:83]4)[C@@H:39]([OH:72])[C@@H:32]([CH2:21][OH:63])[O:84]3)[C@@H:34]([CH2:23][OH:65])[O:87]2)[C@@H:33]([CH2:22][OH:64])[O:86]1)[N:59]=[C:26]([13CH3:3])[OH:66])[OH:68]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:Globo-H
metacycM:Globo-H 		globo H

seed.compound:cpd21581
seedM:cpd21581
seed.compound:cpd37199
seedM:cpd37199
kegg.glycan:G00099
keggG:G00099
kegg.glycan:G06079
keggG:G06079 		Globo-H

keggG:M_G00099
keggG:M_G06079
seedM:M_cpd21581
seedM:M_cpd37199 		secondary/obsolete/fantasy identifier