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

Leb glycolipid ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)2 (Cer)1)

Properties Image MNX_ID MNXM1583682 reference vmhM:antg_lewisb vmhM:antg_lewisb formula   global charge   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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](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/C58H102N2O31/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(67)29(59-27(4)65)24-80-54-46(78)43(75)48(33(22-63)86-54)87-57-47(79)51(39(71)32(21-62)83-57)90-53-35(60-28(5)66)50(49(34(23-64)85-53)88-55-44(76)40(72)36(68)25(2)81-55)89-58-52(42(74)38(70)31(20-61)84-58)91-56-45(77)41(73)37(69)26(3)82-56/h18-19,25-26,29-58,61-64,67-79H,6-17,20-24H2,1-5H3,(H,59,65)(H,60,66)/b19-18+/t25-,26-,29-,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-/m0/s1/i4+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:30]([C@H:29]([CH2:24][O:80][C@H:54]1[C@H:46]([OH:78])[C@@H:43]([OH:75])[C@H:48]([O:87][C@H:57]2[C@H:47]([OH:79])[C@@H:51]([O:90][C@H:53]3[C@H:35]([NH:60][C:28]([CH3:5])=[O:66])[C@@H:50]([O:89][C@H:58]4[C@H:52]([O:91][C@H:56]5[C@@H:45]([OH:77])[C@H:41]([OH:73])[C@H:37]([OH:69])[C@H:26]([CH3:3])[O:82]5)[C@@H:42]([OH:74])[C@@H:38]([OH:70])[C@@H:31]([CH2:20][OH:61])[O:84]4)[C@H:49]([O:88][C@H:55]4[C@@H:44]([OH:76])[C@H:40]([OH:72])[C@H:36]([OH:68])[C@H:25]([CH3:2])[O:81]4)[C@@H:34]([CH2:23][OH:64])[O:85]3)[C@@H:39]([OH:71])[C@@H:32]([CH2:21][OH:62])[O:83]2)[C@@H:33]([CH2:22][OH:63])[O:86]1)[NH:59][C:27]([13CH3:4])=[O:65])[OH:67]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
vmhM:antg_lewisb vmhM:antg_lewisb vmhmetabolite:antg_lewisb vmhmetabolite:antg_lewisb	Leb glycolipid ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)2 (Cer)1)
vmhM:M02194 vmhM:M02194 vmhM:M_antg_lewisb	secondary/obsolete/fantasy identifier