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N-acetylneuraminate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106046

	#reac
in my sandbox	0
in MNXref (generic)	104
in models (compartimentalized)	26

formula

C₁₁H₁₈NO₉

charge

-1

mass

308.0987

reference

chebi:35418

InChIKey

SQVRNKJHWKZAKO-LUWBGTNYSA-M

InChI

InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/p-1/t5-,6+,7+,8+,9+,11?/m0/s1

SMILES

CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35418 chebi:35418	N-acetylneuraminate 5-acetamido-3,5-dideoxy-D-galacto-non-2-ulopyranosonate sialate
seed.compound:cpd27569 seedM:cpd27569	N-ACETYLNEURAMINATE 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid N-Acetylneuraminate N-Acetylneuraminic acid Neu5Ac
sabiork.compound:2006 sabiorkM:2006	N-Acetylneuraminate 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid AcNeu N-Acetylneuraminic acid Neu5Ac Sialate Sialic acid
kegg.compound:C00270 keggC:C00270	N-Acetylneuraminate 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid N-Acetylneuraminic acid Neu5Ac
metacyc.compound:N-ACETYLNEURAMINATE metacycM:N-ACETYLNEURAMINATE	N-acetylneuraminate 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid N-acetylneuraminic acid NANA Neu5Ac O-sialic acid sialate sialic acid
reactome:R-ALL-4085414 reactomeM:R-ALL-4085414 reactome:R-ALL-428633 reactomeM:R-ALL-428633 reactome:R-ALL-428639 reactomeM:R-ALL-428639 reactome:R-ALL-975925 reactomeM:R-ALL-975925 CHEBI:17012 chebi:17012	N-acetylneuraminic acid 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid Aceneuramic acid N-Acetylneuraminic acid Neu5Ac NeuAc O-sialic acid WURCS=2.0/1,1,0/[Aad21122h-2x_2-6_5*NCC/3=O]/1/ aceneuramic acid acide aceneuramique acidium aceneuramicum acido aceneuramico
seed.compound:cpd00232 seedM:cpd00232	Neu5Ac 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid N-ACETYLNEURAMINATE N-Acetylneuraminate N-Acetylneuraminic acid acnam
chebi:12471 chebi:12579 chebi:21617 chebi:21620 chebi:33987 chebi:7214 keggC:M_C00270 seedM:M_cpd00232 seedM:M_cpd27569	secondary/obsolete/fantasy identifier