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N-acetyl-alpha-neuraminate

PropertiesImage
MNX_IDMNXM1106048 Image of MNXM1106048
referencechebi:58770
formulaC11H18NO9
global charge-1
mol weight308.263
InChIKeySQVRNKJHWKZAKO-YRMXFSIDSA-M
InChIInChI=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
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)[O-])C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/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)/t5-,6+,7+,8+,9+,11+/m0/s1 Image of MNXM1106048
SMILES (mnx)[CH3:1][C:4](=[N:12][C@@H:7]1[C@@H:5]([OH:15])[CH2:2][C@@:11]([C:10](=[O:18])[OH:19])([OH:20])[O:21][C@H:9]1[C@@H:8]([C@@H:6]([CH2:3][OH:13])[OH:16])[OH:17])[OH:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)23
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58770
chebi:58770
SQVRNKJHWKZAKO-YRMXFSIDSA-M 		N-acetyl-alpha-neuraminate
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonate
hmdb:HMDB0000773
SQVRNKJHWKZAKO-YRMXFSIDSA-N 		N-Acetyl-a-neuraminic acid
(2R,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
5-(Acetylamino)-3,5-dideoxy-D-glycero-a-D-galacto-2-nonulopyranosonate
5-(Acetylamino)-3,5-dideoxy-D-glycero-a-D-galacto-2-nonulopyranosonic acid
5-(Acetylamino)-3,5-dideoxy-delta-glycero-alpha-delta-galacto-2-nonulopyranosonate
5-(Acetylamino)-3,5-dideoxy-delta-glycero-alpha-delta-galacto-2-nonulopyranosonic acid
5-Acetamido-3,5-dideoxy-a-D-glycero-D-galacto-nonulopyranosonate
5-Acetamido-3,5-dideoxy-a-D-glycero-D-galacto-nonulopyranosonic acid
5-Acetamido-3,5-dideoxy-alpha-delta-glycero-delta-galacto-nonulopyranosonate
5-Acetamido-3,5-dideoxy-alpha-delta-glycero-delta-galacto-nonulopyranosonic acid
Acid, N-acetylneuraminic
Acid, sialic
N Acetylneuraminic acid
N-Acetyl-a-D-neuraminate
N-Acetyl-a-D-neuraminic acid
N-Acetyl-a-neuraminate
N-Acetyl-alpha-delta-neuraminate
N-Acetyl-alpha-delta-neuraminic acid
N-Acetyl-alpha-neuraminate
N-Acetyl-alpha-neuraminic acid
N-Acetylneuraminic acid
N-acetylneuraminic acid
O-SIALIC ACID
O-SIALate
PolySia
Polysialic acid
Sialic acid
WURCS=2.0/1,1,0/[aad21122h-2a_2-6_5*ncc/3=o]/1/
a-Neu5ac
alpha-Neu5ac
alpha-neu5ac

seed.compound:cpd21148
seedM:cpd21148
SQVRNKJHWKZAKO-YRMXFSIDSA-M 		N-Acetyl-alpha-neuraminate
N-acetyl-alpha-neuraminate
alpha-N-acetylneuraminate
alpha-Neu5Ac

kegg.compound:C19909
keggC:C19909
SQVRNKJHWKZAKO-YRMXFSIDSA-N 		N-Acetyl-alpha-neuraminate
alpha-Neu5Ac

metacyc.compound:CPD0-1122
metacycM:CPD0-1122
SQVRNKJHWKZAKO-YRMXFSIDSA-M 		N-acetyl-alpha-neuraminate
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonate
alpha-N-acetylneuraminate
alpha-Neu5Ac

CHEBI:49026
chebi:49026
SQVRNKJHWKZAKO-YRMXFSIDSA-N 		N-acetyl-alpha-neuraminic acid
5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranosonic acid
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
D-glycero-alpha-D-galacto-2-nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-
O-SIALIC ACID
WURCS=2.0/1,1,0/[Aad21122h-2a_2-6_5*NCC/3=O]/1/
alpha-Neu5Ac

hmdb:HMDB00773
chebi:45493
chebi:49025
keggC:M_C19909
seedM:M_cpd21148 		secondary/obsolete/fantasy identifier