**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

(Gal)3 (GalNAc)1 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1

Properties Image MNX_ID MNXM1104471 reference biggM:galacgalfuc12gal14acglcgalgluside_hs formula C65H112N3O37* global charge 0 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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=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/C66H115N3O37/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(79)31(67-28(3)76)26-93-62-51(90)48(87)54(37(24-74)99-62)101-64-52(91)49(88)55(38(25-75)100-64)102-65-53(92)57(44(83)35(22-72)97-65)104-61-40(69-30(5)78)56(43(82)34(21-71)96-61)103-66-59(106-63-50(89)47(86)41(80)27(2)94-63)58(45(84)36(23-73)98-66)105-60-39(68-29(4)77)46(85)42(81)33(20-70)95-60/h18-19,27,31-66,70-75,79-92H,6-17,20-26H2,1-5H3,(H,67,76)(H,68,77)(H,69,78)/b19-18+/t27-,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-,59+,60+,61-,62+,63-,64-,65+,66-/m0/s1/i3+1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:32]([C@H:31]([CH2:26][O:93][C@H:62]1[C@H:51]([OH:90])[C@@H:48]([OH:87])[C@H:54]([O:101][C@H:64]2[C@H:52]([OH:91])[C@@H:49]([OH:88])[C@@H:55]([O:102][C@@H:65]3[C@H:53]([OH:92])[C@@H:57]([O:104][C@H:61]4[C@H:40]([N:69]=[C:30]([CH3:5])[OH:78])[C@@H:56]([O:103][C@H:66]5[C@H:59]([O:106][C@H:63]6[C@@H:50]([OH:89])[C@H:47]([OH:86])[C@H:41]([OH:80])[C@H:27]([CH3:2])[O:94]6)[C@@H:58]([O:105][C@@H:60]6[C@H:39]([N:68]=[C:29]([CH3:4])[OH:77])[C@@H:46]([OH:85])[C@@H:42]([OH:81])[C@@H:33]([CH2:20][OH:70])[O:95]6)[C@@H:45]([OH:84])[C@@H:36]([CH2:23][OH:73])[O:98]5)[C@H:43]([OH:82])[C@@H:34]([CH2:21][OH:71])[O:96]4)[C@@H:44]([OH:83])[C@@H:35]([CH2:22][OH:72])[O:97]3)[C@@H:38]([CH2:25][OH:75])[O:100]2)[C@@H:37]([CH2:24][OH:74])[O:99]1)[N:67]=[C:28]([13CH3:3])[OH:76])[OH:79]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2

Similar chemical compounds in external resources

Identifier	Description
bigg.metabolite:galacgalfuc12gal14acglcgalgluside_hs biggM:galacgalfuc12gal14acglcgalgluside_hs	(Gal)3 (GalNAc)1 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1
biggM:M_galacgalfuc12gal14acglcgalgluside_hs	secondary/obsolete/fantasy identifier