MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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GD1a

	Properties	Image
MNX_ID	MNXM1105969
reference	seedM:cpd02999
formula	C₆₇H₁₁₁N₄O₃₉*
global charge	-2
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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

MNX internals

InChI (mnx)
SMILES (mnx)

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd02999 seedM:cpd02999	GD1a GD1a-NeuAc-NeuGc GD1a-NeuGc N-ACETYLNEURAMINYL-ETCETERA-GLUCOSYLCERA N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N- acetylneuraminyl)-D-galactosyl-D-glucosylceramide N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide N-acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)Gal- beta1->4Glc-beta1->1'Cer NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)LacCer
seedM:M_cpd02999	secondary/obsolete/fantasy identifier