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Globoside (homo sapiens)

PropertiesImage
MNX_IDMNXM1104520 Image of MNXM1104520
referencebiggM:gbside_hs
formulaC45H79N2O23*
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]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/C46H82N2O23/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(55)25(47-23(2)53)22-64-44-37(61)35(59)40(29(20-51)67-44)69-45-38(62)36(60)41(30(21-52)68-45)70-46-39(63)42(33(57)28(19-50)66-46)71-43-31(48-24(3)54)34(58)32(56)27(18-49)65-43/h16-17,25-46,49-52,55-63H,4-15,18-22H2,1-3H3,(H,47,53)(H,48,54)/b17-16+/t25-,26+,27+,28+,29+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46+/m0/s1/i2+1 Image of MNXM1104520
SMILES (mnx)[CH3:1][13CH2:2][C@H:3]1[CH2:4][C@@H:5]([CH2:6][C@@H:7]2[C@@H:8]([CH3:9])[C@H:10]([CH2:11][C@H:12]3[C@@H:13]([CH3:14])[C@H:15]([CH3:16])[C@H:17]([CH2:18][C@H:19]4[C@H:20]([CH3:21])[C@@H:22]([CH3:23])[C@@H:24]([CH2:25][CH2:26][C@@H:27]([CH2:28][C:29]([CH3:30])=[CH2:31])[C@@H:32]([CH3:33])/[CH:34]=[CH:35]/[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][NH:47][NH2:48])[O:49][O:50]4[O:51][OH:52])[O:53][O:54]3[O:55][OH:56])[O:57][O@:58]([O:59][OH:60])[O@:61]2[OH:62])[O@:63]([O:64][O:65](=[O:66])[OH:67])[O@:68]([OH:69])[O@:70]1[OH:71]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 16
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:gbside_hs
biggM:gbside_hs
Globoside (homo sapiens)

biggM:M_gbside_hs
secondary/obsolete/fantasy identifier