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

Ganglioside GT3 (d18:1/12:0)

Properties Image Occurences in reactions MNX_ID MNXM1364767 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C75H130N4O37 charge 0 mass 1679.856 reference hmdb:HMDB0012067 InChIKey LQOOKDUBWRBVMT-JMNXZLRVSA-N InChI InChI=1S/C75H130N4O37/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-43(88)42(79-52(93)29-27-25-23-20-15-13-11-9-7-2)38-107-68-61(99)60(98)63(51(37-84)109-68)110-69-62(100)67(57(95)48(34-81)108-69)116-75(72(105)106)32-46(91)55(78-41(5)87)66(115-75)59(97)50(36-83)112-74(71(103)104)31-45(90)54(77-40(4)86)65(114-74)58(96)49(35-82)111-73(70(101)102)30-44(89)53(76-39(3)85)64(113-73)56(94)47(92)33-80/h26,28,42-51,53-69,80-84,88-92,94-100H,6-25,27,29-38H2,1-5H3,(H,76,85)(H,77,86)(H,78,87)(H,79,93)(H,101,102)(H,103,104)(H,105,106)/t42-,43+,44-,45-,46-,47+,48+,49+,50+,51+,53+,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64?,65?,66?,67-,68+,69-,73+,74+,75-/m0/s1 SMILES [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:22][CH2:24][CH:26]=[CH:28][C@H:43]([C@H:42]([CH2:38][O:107][C@H:68]1[C@H:61]([OH:99])[C@@H:60]([OH:98])[C@H:63]([O:110][C@H:69]2[C@H:62]([OH:100])[C@@H:67]([O:116][C@:75]3([C:72](=[O:105])[OH:106])[CH2:32][C@H:46]([OH:91])[C@@H:55]([N:78]=[C:41]([CH3:5])[OH:87])[CH:66]([C@@H:59]([C@@H:50]([CH2:36][OH:83])[O:112][C@:74]4([C:71](=[O:103])[OH:104])[CH2:31][C@H:45]([OH:90])[C@@H:54]([N:77]=[C:40]([CH3:4])[OH:86])[CH:65]([C@@H:58]([C@@H:49]([CH2:35][OH:82])[O:111][C@:73]5([C:70](=[O:101])[OH:102])[CH2:30][C@H:44]([OH:89])[C@@H:53]([N:76]=[C:39]([CH3:3])[OH:85])[CH:64]([C@@H:56]([C@@H:47]([CH2:33][OH:80])[OH:92])[OH:94])[O:113]5)[OH:96])[O:114]4)[OH:97])[O:115]3)[C@@H:57]([OH:95])[C@@H:48]([CH2:34][OH:81])[O:108]2)[C@@H:51]([CH2:37][OH:84])[O:109]1)[N:79]=[C:52]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:93])[OH:88]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources

Identifier	Description
hmdb:HMDB0012067	Ganglioside GT3 (d18:1/12:0) (2S,4S,5R)-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-1,3-dihydroxypropyl]-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R)-2-dodecanamido-3-hydroxyoctadec-4-en-1-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxyoxane-2-carboxylic acid
hmdb:HMDB12067	secondary/obsolete/fantasy identifier