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alpha-KDN-(2->3)-beta-D-Galp-(1->4)-D-Glcp

PropertiesImage
MNX_IDMNXM102555 Image of MNXM102555
referencechebi:71441
formulaC21H36O19
global charge0
mol weight592.5
InChIKeyDMRPWEVBRFPALU-VOVGBJGJSA-N
InChIInChI=1S/C21H36O19/c22-2-6(26)10(28)16-9(27)5(25)1-21(39-16,20(34)35)40-17-11(29)7(3-23)37-19(14(17)32)38-15-8(4-24)36-18(33)13(31)12(15)30/h5-19,22-33H,1-4H2,(H,34,35)/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17-,18?,19-,21-/m0/s1
SMILESO=C(O)[C@@]1(O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O1
MNX internals
InChI (mnx)InChI=1/C21H36O19/c22-2-6(26)10(28)16-9(27)5(25)1-21(39-16,20(34)35)40-17-11(29)7(3-23)37-19(14(17)32)38-15-8(4-24)36-18(33)13(31)12(15)30/h5-19,22-33H,1-4H2,(H,34,35)/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17-,18?,19-,21-/m0/s1 Image of MNXM102555
SMILES (mnx)[CH2:1]1[C@H:5]([OH:25])[C@@H:9]([OH:27])[C@H:16]([C@@H:10]([C@@H:6]([CH2:2][OH:22])[OH:26])[OH:28])[O:39][C@:21]1([C:20](=[O:34])[OH:35])[O:40][C@H:17]1[C@@H:11]([OH:29])[C@@H:7]([CH2:3][OH:23])[O:37][C@@H:19]([O:38][C@@H:15]2[C@@H:8]([CH2:4][OH:24])[O:36][CH:18]([OH:33])[C@H:13]([OH:31])[C@H:12]2[OH:30])[C@@H:14]1[OH:32]
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:71441
chebi:71441
DMRPWEVBRFPALU-VOVGBJGJSA-N 		alpha-KDN-(2->3)-beta-D-Galp-(1->4)-D-Glcp
(6R)-3-deoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
3-deoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonyl-(2->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
KDNalpha2-3Galbeta1-4Glc
alpha-KDN-(2->3)-beta-D-Gal-(1->4)-D-Glc
deamino-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose