(Gal)4 (Glc)1 (GlcNAc)3 (LFuc)1 (Cer)1

Properties Image MNX_ID MNXM1104501 reference biggM:fucgalacglc13galacglcgal14acglcgalgluside_hs formula C79H135N4O47* 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]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[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/C80H138N4O47/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36(96)35(81-31(3)92)28-114-75-62(111)59(108)68(43(27-91)123-75)127-78-63(112)69(51(100)39(23-87)118-78)129-73-47(84-34(6)95)55(104)66(42(26-90)122-73)126-79-64(113)70(130-74-46(83-33(5)94)54(103)65(41(25-89)121-74)125-77-61(110)57(106)49(98)37(21-85)117-77)52(101)44(124-79)29-115-72-45(82-32(4)93)53(102)67(40(24-88)120-72)128-80-71(58(107)50(99)38(22-86)119-80)131-76-60(109)56(105)48(97)30(2)116-76/h19-20,30,35-80,85-91,96-113H,7-18,21-29H2,1-6H3,(H,81,92)(H,82,93)(H,83,94)(H,84,95)/b20-19+/t30-,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+,67+,68+,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80-/m0/s1/i3+1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[C@H:36]([C@H:35]([CH2:28][O:114][C@H:75]1[C@H:62]([OH:111])[C@@H:59]([OH:108])[C@H:68]([O:127][C@H:78]2[C@H:63]([OH:112])[C@@H:69]([O:129][C@H:73]3[C@H:47]([N:84]=[C:34]([CH3:6])[OH:95])[C@@H:55]([OH:104])[C@H:66]([O:126][C@H:79]4[C@H:64]([OH:113])[C@@H:70]([O:130][C@H:74]5[C@H:46]([N:83]=[C:33]([CH3:5])[OH:94])[C@@H:54]([OH:103])[C@H:65]([O:125][C@H:77]6[C@H:61]([OH:110])[C@@H:57]([OH:106])[C@@H:49]([OH:98])[C@@H:37]([CH2:21][OH:85])[O:117]6)[C@@H:41]([CH2:25][OH:89])[O:121]5)[C@@H:52]([OH:101])[C@@H:44]([CH2:29][O:115][C@H:72]5[C@H:45]([N:82]=[C:32]([CH3:4])[OH:93])[C@@H:53]([OH:102])[C@H:67]([O:128][C@H:80]6[C@H:71]([O:131][C@H:76]7[C@@H:60]([OH:109])[C@H:56]([OH:105])[C@H:48]([OH:97])[C@H:30]([CH3:2])[O:116]7)[C@@H:58]([OH:107])[C@@H:50]([OH:99])[C@@H:38]([CH2:22][OH:86])[O:119]6)[C@@H:40]([CH2:24][OH:88])[O:120]5)[O:124]4)[C@@H:42]([CH2:26][OH:90])[O:122]3)[C@@H:51]([OH:100])[C@@H:39]([CH2:23][OH:87])[O:118]2)[C@@H:43]([CH2:27][OH:91])[O:123]1)[N:81]=[C:31]([13CH3:3])[OH:92])[OH:96]

Parent-child relations graph

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