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VI2Fuc-nLc6

MNXM735738 is deprecated and here replaced by MNXM1104483
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104483 Image of MNXM1104483
referencebiggM:fucgalacglcgal14acglcgalgluside_hs
formulaC65H112N3O37*
global charge0
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](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]6O[C@@H](C)[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/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)49(88)56(38(25-75)100-62)102-65-53(92)58(44(83)35(22-72)96-65)105-60-39(68-29(4)77)45(84)54(36(23-73)98-60)101-64-52(91)57(43(82)34(21-71)95-64)104-61-40(69-30(5)78)46(85)55(37(24-74)99-61)103-66-59(48(87)42(81)33(20-70)97-66)106-63-50(89)47(86)41(80)27(2)94-63/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 Image of MNXM1104483
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:32]([C@H:31]([CH2:26][O:93][C@H:62]1[C@H:51]([OH:90])[C@@H:49]([OH:88])[C@H:56]([O:102][C@H:65]2[C@H:53]([OH:92])[C@@H:58]([O:105][C@H:60]3[C@H:39]([N:68]=[C:29]([CH3:4])[OH:77])[C@@H:45]([OH:84])[C@H:54]([O:101][C@H:64]4[C@H:52]([OH:91])[C@@H:57]([O:104][C@H:61]5[C@H:40]([N:69]=[C:30]([CH3:5])[OH:78])[C@@H:46]([OH:85])[C@H:55]([O:103][C@H:66]6[C@H:59]([O:106][C@H:63]7[C@@H:50]([OH:89])[C@H:47]([OH:86])[C@H:41]([OH:80])[C@H:27]([CH3:2])[O:94]7)[C@@H:48]([OH:87])[C@@H:42]([OH:81])[C@@H:33]([CH2:20][OH:70])[O:97]6)[C@@H:37]([CH2:24][OH:74])[O:99]5)[C@@H:43]([OH:82])[C@@H:34]([CH2:21][OH:71])[O:95]4)[C@@H:36]([CH2:23][OH:73])[O:98]3)[C@@H:44]([OH:83])[C@@H:35]([CH2:22][OH:72])[O:96]2)[C@@H:38]([CH2:25][OH:75])[O:100]1)[N:67]=[C:28]([13CH3:3])[OH:76])[OH:79]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:fucgalacglcgal14acglcgalgluside_hs
biggM:fucgalacglcgal14acglcgalgluside_hs 		VI2Fuc-nLc6

biggM:M_fucgalacglcgal14acglcgalgluside_hs 		secondary/obsolete/fantasy identifier