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(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

PropertiesImage
MNX_IDMNXM119027 Image of MNXM119027
referencechebi:147572
formulaC27H45N3O19
global charge0
mol weight715.659
InChIKeyLDPRACDVBWJXGZ-CNAKBJBESA-N
InChIInChI=1S/C27H45N3O19/c1-8(33)28-15-11(36)4-27(26(43)44,49-23(15)18(38)12(37)5-31)45-7-14-19(39)20(40)17(30-10(3)35)25(47-14)48-22-13(6-32)46-24(42)16(21(22)41)29-9(2)34/h11-25,31-32,36-42H,4-7H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,27+/m0/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[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](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H45N3O19/c1-8(33)28-15-11(36)4-27(26(43)44,49-23(15)18(38)12(37)5-31)45-7-14-19(39)20(40)17(30-10(3)35)25(47-14)48-22-13(6-32)46-24(42)16(21(22)41)29-9(2)34/h11-25,31-32,36-42H,4-7H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,27+/m0/s1 Image of MNXM119027
SMILES (mnx)[CH3:1][C:8](=[N:28][C@@H:15]1[C@@H:11]([OH:36])[CH2:4][C@@:27]([C:26](=[O:43])[OH:44])([O:45][CH2:7][C@@H:14]2[C@@H:19]([OH:39])[C@H:20]([OH:40])[C@@H:17]([N:30]=[C:10]([CH3:3])[OH:35])[C@H:25]([O:48][C@@H:22]3[C@@H:13]([CH2:6][OH:32])[O:46][C@@H:24]([OH:42])[C@H:16]([N:29]=[C:9]([CH3:2])[OH:34])[C@H:21]3[OH:41])[O:47]2)[O:49][C@H:23]1[C@@H:18]([C@@H:12]([CH2:5][OH:31])[OH:37])[OH:38])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:147572
chebi:147572
LDPRACDVBWJXGZ-CNAKBJBESA-N 		(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
NeuAc(a2-6)GlcNAc(b1-4)b-GlcNAc
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-1-2/a4-b1_b6-c2

CHEBI:72009
chebi:72009
LDPRACDVBWJXGZ-OFYLDMBYSA-N 		alpha-Neup5Ac-(2->6)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine
Neu5Aca2-6GlcNAcb1-4GlcNAc
Neu5Acalpha2-6GlcNAcbeta1-4GlcNAc
O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->6)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-D-glucopyranose
WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b6-c2
alpha-Neu5Ac-(2->6)-beta-D-GlcNAc-(1->4)-D-GlcNAc