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alpha-KDN-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM102552 Image of MNXM102552
referencechebi:71438
formulaC23H39NO19
global charge0
mol weight633.553
InChIKeyUOKYHGGASIPMNN-UYCGUTEDSA-N
InChIInChI=1S/C23H39NO19/c1-6(28)24-11-17(14(33)9(4-26)39-20(11)36)41-21-16(35)19(15(34)10(5-27)40-21)43-23(22(37)38)2-7(29)12(31)18(42-23)13(32)8(30)3-25/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13+,14+,15-,16+,17+,18+,19-,20+,21-,23-/m0/s1
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C23H39NO19/c1-6(28)24-11-17(14(33)9(4-26)39-20(11)36)41-21-16(35)19(15(34)10(5-27)40-21)43-23(22(37)38)2-7(29)12(31)18(42-23)13(32)8(30)3-25/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13+,14+,15-,16+,17+,18+,19-,20+,21-,23-/m0/s1 Image of MNXM102552
SMILES (mnx)[CH3:1][C:6](=[N:24][C@@H:11]1[C@@H:17]([O:41][C@H:21]2[C@H:16]([OH:35])[C@@H:19]([O:43][C@:23]3([C:22](=[O:37])[OH:38])[CH2:2][C@H:7]([OH:29])[C@@H:12]([OH:31])[C@H:18]([C@@H:13]([C@@H:8]([CH2:3][OH:25])[OH:30])[OH:32])[O:42]3)[C@@H:15]([OH:34])[C@@H:10]([CH2:5][OH:27])[O:40]2)[C@H:14]([OH:33])[C@@H:9]([CH2:4][OH:26])[O:39][C@H:20]1[OH:36])[OH:28]
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:71438
chebi:71438
UOKYHGGASIPMNN-UYCGUTEDSA-N 		alpha-KDN-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc
(6R)-3-deoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranose
3-deoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranose
KDNa2-3Galb1-3GlcNAcb
KDNalpha2-3Galbeta1-3GlcNAcbeta
O-3-deoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
alpha-KDN-(2->3)-beta-D-Gal-(1->3)-beta-D-GlcNAc
deamino-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosamine