**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][CH2:2][13CH:3]1[CH2:4][C@H:5]([CH2:6][CH:7]2[C@@H:8]([CH3:9])[C@@H:10]([O:96][OH:97])[CH2:11][C@H:12]([CH2:13][C@@H:14]3[C@@H:15]([CH3:16])[C@H:17]([O:82][OH:83])[CH2:18][C@H:19]([CH2:20][C@H:21]4[C@H:22]([CH3:23])[C@H:24]([CH2:25][C@@H:26]5[C@H:27]([CH3:28])[C@@H:29]([CH3:30])[C@@H:31]([CH2:32][C@H:33]6[C@@H:34]([CH3:35])[C@@H:36]([CH3:37])[C@H:38]([CH2:39][CH2:40][C@H:41]([CH2:42][C:43]([CH3:44])=[CH2:45])[C@@H:46]([CH3:47])/[CH:48]=[CH:49]\[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH:64]6[CH2:65][CH3:66])[NH:67][N:68]5[NH:69][OH:70])[O:71][O@:72]([O:73][OH:74])[O@:75]4[OH:76])[O:77]3[O:78][O:79](=[O:80])[OH:81])[O:84]2[O:85][O@:86]2[O:87][O@@:88]([OH:89])[O@:90]([OH:91])[O@@:92]([OH:93])[O@:94]2[OH:95])[O@:98]([O:99][O:100](=[O:101])[OH:102])[O@:103]([OH:104])[O@:105]1[OH:106]

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