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a neolactoside IV(4)-beta-GalNAc-IV(3)-alpha-NeuGc-nLc4Cer(d18:1(4E))

Properties Image Occurences in reactions MNX_ID MNXM1379903 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C64H108N4O37* charge   mass   reference chebi:197446 InChIKey   InChI   SMILES [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]/[C@H:32]([C@H:31]([CH2:27][O:95][C@H:61]1[C@H:50]([OH:90])[C@@H:49]([OH:89])[C@H:54]([O:102][C@H:62]2[C@H:51]([OH:91])[C@@H:57]([O:104][C@H:60]3[C@H:43]([N:68]=[C:30]([CH3:4])[OH:79])[C@@H:48]([OH:88])[C@H:53]([O:101][C@H:63]4[C@H:52]([OH:92])[C@@H:58]([O:106][C@:65]5([C:64](=[O:93])[OH:94])[CH2:19][C@H:33]([OH:81])[C@@H:41]([N:69]=[C:40]([CH2:26][OH:76])[OH:83])[C@H:56]([C@@H:44]([C@@H:34]([CH2:20][OH:70])[OH:82])[OH:84])[O:105]5)[C@@H:55]([O:103][C@H:59]5[C@H:42]([N:67]=[C:29]([CH3:3])[OH:78])[C@@H:47]([OH:87])[C@@H:45]([OH:85])[C@@H:35]([CH2:21][OH:71])[O:96]5)[C@@H:39]([CH2:25][OH:75])[O:100]4)[C@@H:37]([CH2:23][OH:73])[O:98]3)[C@@H:46]([OH:86])[C@@H:36]([CH2:22][OH:72])[O:97]2)[C@@H:38]([CH2:24][OH:74])[O:99]1)[N:66]=[C:28]([13CH3:2])[OH:77])[OH:80]

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Identifier

Description

CHEBI:197446 chebi:197446

a neolactoside IV(4)-beta-GalNAc-IV(3)-alpha-NeuGc-nLc4Cer(d18:1(4E)) N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-glycoloylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-sphing-4-enine(1-) beta-D- GalNAc-(1->4)- [alpha- Neu5Gc-(2->3)]- beta-D-Gal- (1->4)-beta-D-GlcNAc- (1->3)-beta-D-Gal- (1->4)-beta-D-Glc-(1<->1')- Cer(d18:1(4E))(1-)