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

(Gal)2 (GalNAc)1 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1

Properties Image MNX_ID MNXM9469 reference biggM:acgalfuc12gal14acglcgalgluside_hs formula C59H102N3O32* 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](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]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C60H105N3O32/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(72)30(61-27(3)69)25-84-57-48(82)46(80)50(36(24-68)90-57)91-59-49(83)52(42(76)34(22-66)88-59)93-56-38(63-29(5)71)51(41(75)33(21-65)87-56)92-60-54(95-58-47(81)45(79)39(73)26(2)85-58)53(43(77)35(23-67)89-60)94-55-37(62-28(4)70)44(78)40(74)32(20-64)86-55/h18-19,26,30-60,64-68,72-83H,6-17,20-25H2,1-5H3,(H,61,69)(H,62,70)(H,63,71)/b19-18+/t26-,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-,59-,60-/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:31]([C@H:30]([CH2:25][O:84][C@H:57]1[C@H:48]([OH:82])[C@@H:46]([OH:80])[C@H:50]([O:91][C@H:59]2[C@H:49]([OH:83])[C@@H:52]([O:93][C@H:56]3[C@H:38]([N:63]=[C:29]([CH3:5])[OH:71])[C@@H:51]([O:92][C@H:60]4[C@H:54]([O:95][C@H:58]5[C@@H:47]([OH:81])[C@H:45]([OH:79])[C@H:39]([OH:73])[C@H:26]([CH3:2])[O:85]5)[C@@H:53]([O:94][C@@H:55]5[C@H:37]([N:62]=[C:28]([CH3:4])[OH:70])[C@@H:44]([OH:78])[C@@H:40]([OH:74])[C@@H:32]([CH2:20][OH:64])[O:86]5)[C@@H:43]([OH:77])[C@@H:35]([CH2:23][OH:67])[O:89]4)[C@H:41]([OH:75])[C@@H:33]([CH2:21][OH:65])[O:87]3)[C@@H:42]([OH:76])[C@@H:34]([CH2:22][OH:66])[O:88]2)[C@@H:36]([CH2:24][OH:68])[O:90]1)[N:61]=[C:27]([13CH3:3])[OH:69])[OH:72]

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:acgalfuc12gal14acglcgalgluside_hs biggM:acgalfuc12gal14acglcgalgluside_hs	(Gal)2 (GalNAc)1 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1
biggM:M_acgalfuc12gal14acglcgalgluside_hs	secondary/obsolete/fantasy identifier