**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][CH2:2][13CH:3]1[CH2:4][C@H:5]([CH2:6][C@H:7]2[C@@H:8]([CH3:9])[C@@H:10]([O:85][OH:86])[CH2:11][CH:12]([CH2:13][C@@H:14]3[C@@H:15]([CH3:16])[C@H:17]([O:71][OH:72])[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[CH:27]([CH3:28])[C@H:29]([CH3:30])[C@@H:31]([CH2:32][CH2:33][C@@H:34]([CH2:35][C:36]([CH3:37])=[CH2:38])[C@@H:39]([CH3:40])/[CH:41]=[CH:42]\[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][C@@H:57]5[CH2:58][CH3:59])[CH2:60][N:61]([NH:62][NH2:63])[O:64]4[OH:65])[O:66]3[O:67][O:68](=[O:69])[OH:70])[O:73]2[O:74][O@:75]2[O:76][O@@:77]([OH:78])[O@:79]([OH:80])[O@:81]([OH:82])[O@:83]2[OH:84])[O@:87]([O:88][O:89](=[O:90])[OH:91])[O@:92]([OH:93])[O@:94]1[OH:95]

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