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alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1104471

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

formula

C₆₅H₁₁₂N₃O₃₇*

charge

mass

reference

chebi:62575

InChIKey

InChI

SMILES

[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:48]([OH:87])[C@H:54]([O:101][C@H:64]2[C@H:52]([OH:91])[C@@H:49]([OH:88])[C@@H:55]([O:102][C@@H:65]3[C@H:53]([OH:92])[C@@H:57]([O:104][C@H:61]4[C@H:40]([N:69]=[C:30]([CH3:5])[OH:78])[C@@H:56]([O:103][C@H:66]5[C@H:59]([O:106][C@H:63]6[C@@H:50]([OH:89])[C@H:47]([OH:86])[C@H:41]([OH:80])[C@H:27]([CH3:2])[O:94]6)[C@@H:58]([O:105][C@@H:60]6[C@H:39]([N:68]=[C:29]([CH3:4])[OH:77])[C@@H:46]([OH:85])[C@@H:42]([OH:81])[C@@H:33]([CH2:20][OH:70])[O:95]6)[C@@H:45]([OH:84])[C@@H:36]([CH2:23][OH:73])[O:98]5)[C@H:43]([OH:82])[C@@H:34]([CH2:21][OH:71])[O:96]4)[C@@H:44]([OH:83])[C@@H:35]([CH2:22][OH:72])[O:97]3)[C@@H:38]([CH2:25][OH:75])[O:100]2)[C@@H:37]([CH2:24][OH:74])[O:99]1)[N:67]=[C:28]([*:3])[OH:76])[OH:79]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:62575 chebi:62575	alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer (Gal)3 (GalNAc)1 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1 N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->1')-ceramide N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-Cer alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->1')-Cer alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-Cer
bigg.metabolite:galacgalfuc12gal14acglcgalgluside_hs biggM:galacgalfuc12gal14acglcgalgluside_hs	(Gal)3 (GalNAc)1 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1
vmhM:galacgalfuc12gal14acglcgalgluside_hs vmhM:galacgalfuc12gal14acglcgalgluside_hs vmhmetabolite:galacgalfuc12gal14acglcgalgluside_hs vmhmetabolite:galacgalfuc12gal14acglcgalgluside_hs	(Gal)3 (GalNac)1 (Glc)1 (GlcNac)1 (LFuc)1 (Cer)1 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
biggM:M_galacgalfuc12gal14acglcgalgluside_hs	secondary/obsolete/fantasy identifier