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a neolactoside IV(3)-alpha-Gal-nLc4Cer(d18:1(4E))

Properties

Image

Occurences in reactions

MNX_ID

MNXM1364438

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

formula

C₅₁H₈₉N₂O₂₈*

charge

mass

reference

chebi:61235

InChIKey

InChI

SMILES

[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]/[C@H:27]([C@H:26]([CH2:23][O:73][C@H:49]1[C@H:41]([OH:70])[C@@H:39]([OH:68])[C@H:45]([O:80][C@H:52]2[C@H:42]([OH:71])[C@@H:46]([O:81][C@H:48]3[C@H:33]([N:54]=[C:25]([CH3:3])[OH:61])[C@@H:37]([OH:66])[C@H:44]([O:79][C@H:51]4[C@H:43]([OH:72])[C@@H:47]([O:82][C@@H:50]5[C@H:40]([OH:69])[C@@H:38]([OH:67])[C@@H:34]([OH:63])[C@@H:28]([CH2:18][OH:55])[O:74]5)[C@@H:36]([OH:65])[C@@H:30]([CH2:20][OH:57])[O:75]4)[C@@H:31]([CH2:21][OH:58])[O:77]3)[C@@H:35]([OH:64])[C@@H:29]([CH2:19][OH:56])[O:76]2)[C@@H:32]([CH2:22][OH:59])[O:78]1)[N:53]=[C:24]([13CH3:2])[OH:60])[OH:62]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:61235 chebi:61235	a neolactoside IV(3)-alpha-Gal-nLc4Cer(d18:1(4E)) (2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside (2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucoside (Gal)3 (Glc)1 (GlcNAc)1 (Cer)1 IV(3)alphaGal-nLc4Cer IV(4)-alpha-Gal-nLc4Cer alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer nLc5Cer
bigg.metabolite:acglcgal14acglcgalgluside_hs biggM:acglcgal14acglcgalgluside_hs	NLc5Cer
biggM:M_acglcgal14acglcgalgluside_hs	secondary/obsolete/fantasy identifier