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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][13CH2:2][C@@H:3]1[CH2:4][C@H:5]([CH2:6][CH:7]2[C@@H:8]([CH3:9])[C@H:10]([CH2:11][C:12](=[CH2:13])[CH3:14])[C@H:15]([CH2:16][CH2:17][C@H:18]3[CH2:19][C@@H:20]([CH2:21][C@H:22]4[CH:23]([CH3:24])[C@@H:25]([CH2:26][C:27](=[CH2:28])[CH3:29])[C@@H:30]([CH2:31][C@@H:32]5[C@@H:33]([CH3:34])[C@@H:35]([CH2:36][C@@H:37]6[C@@H:38]([CH3:39])[C@H:40]([CH3:41])[C@@H:42]([CH2:43][CH2:44][C@@H:45]([CH2:46][C:47]([CH3:48])=[CH2:49])[C@@H:50]([CH3:51])/[CH:52]=[CH:53]/[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][C@H:68]6[NH:69][NH2:70])[NH:71][N:72]([O:73][OH:74])[O:75]5[OH:76])[O:77][O:78]4[O:79][OH:80])[O@:81]([OH:82])[O@@:83]([O:84][O:85]4[O:86][O@:87]([O:88][OH:89])[O@@:90]([OH:91])[O@:92]([OH:93])[O@@:94]4[O:95][O:96](=[O:97])[OH:98])[O:99]3[OH:100])[O:101][O:102]2[O:103][OH:104])[O@:105]([OH:106])[O@@:107]([OH:108])[O@@:109]1[OH:110]
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