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

PropertiesImage
MNX_IDMNXM1104934 Image of MNXM1104934
referencebiggM:acglcgalacglcgal14acglcgalgluside_hs
formulaC67H115N4O38*
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]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](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](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/C68H118N4O38/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(83)32(69-28(2)79)26-97-65-54(94)52(92)59(39(25-78)104-65)108-67-55(95)60(46(86)36(22-75)101-67)109-64-43(72-31(5)82)50(90)58(38(24-77)103-64)107-68-56(96)61(110-63-41(70-29(3)80)48(88)44(84)34(20-73)99-63)47(87)40(105-68)27-98-62-42(71-30(4)81)49(89)57(37(23-76)102-62)106-66-53(93)51(91)45(85)35(21-74)100-66/h18-19,32-68,73-78,83-96H,6-17,20-27H2,1-5H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/b19-18+/t32-,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-,67-,68-/m0/s1/i2+1 Image of MNXM1104934
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:33]([C@H:32]([CH2:26][O:97][C@H:65]1[C@H:54]([OH:94])[C@@H:52]([OH:92])[C@H:59]([O:108][C@H:67]2[C@H:55]([OH:95])[C@@H:60]([O:109][C@H:64]3[C@H:43]([N:72]=[C:31]([CH3:5])[OH:82])[C@@H:50]([OH:90])[C@H:58]([O:107][C@H:68]4[C@H:56]([OH:96])[C@@H:61]([O:110][C@H:63]5[C@H:41]([N:70]=[C:29]([CH3:3])[OH:80])[C@@H:48]([OH:88])[C@H:44]([OH:84])[C@@H:34]([CH2:20][OH:73])[O:99]5)[C@@H:47]([OH:87])[C@@H:40]([CH2:27][O:98][C@H:62]5[C@H:42]([N:71]=[C:30]([CH3:4])[OH:81])[C@@H:49]([OH:89])[C@H:57]([O:106][C@H:66]6[C@H:53]([OH:93])[C@@H:51]([OH:91])[C@@H:45]([OH:85])[C@@H:35]([CH2:21][OH:74])[O:100]6)[C@@H:37]([CH2:23][OH:76])[O:102]5)[O:105]4)[C@@H:38]([CH2:24][OH:77])[O:103]3)[C@@H:46]([OH:86])[C@@H:36]([CH2:22][OH:75])[O:101]2)[C@@H:39]([CH2:25][OH:78])[O:104]1)[N:69]=[C:28]([13CH3:2])[OH:79])[OH:83]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:acglcgalacglcgal14acglcgalgluside_hs
biggM:acglcgalacglcgal14acglcgalgluside_hs 		(Gal)3 (Glc)1 (GlcNAc)3 (Cer)1

biggM:M_acglcgalacglcgal14acglcgalgluside_hs 		secondary/obsolete/fantasy identifier