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alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-GlcNAc

MNXM6492 is deprecated and here replaced by MNXM1108096
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108096 Image of MNXM1108096
referencechebi:60949
formulaC20H35NO16
global charge0
mol weight545.491
InChIKeyQOITYCLKNIWNMP-ZLPWQWAFSA-N
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-11(27)16(7(3-23)33-18(9)32)36-20-15(31)13(29)17(8(4-24)35-20)37-19-14(30)12(28)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11-,12+,13-,14-,15-,16-,17+,18?,19-,20+/m1/s1
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C20H35NO16/c1-5(25)21-9-11(27)16(7(3-23)33-18(9)32)36-20-15(31)13(29)17(8(4-24)35-20)37-19-14(30)12(28)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11-,12+,13-,14-,15-,16-,17+,18?,19-,20+/m1/s1 Image of MNXM1108096
SMILES (mnx)[CH3:1][C:5](=[N:21][C@@H:9]1[C@@H:11]([OH:27])[C@H:16]([O:36][C@H:20]2[C@H:15]([OH:31])[C@@H:13]([OH:29])[C@@H:17]([O:37][C@@H:19]3[C@H:14]([OH:30])[C@@H:12]([OH:28])[C@@H:10]([OH:26])[C@@H:6]([CH2:2][OH:22])[O:34]3)[C@@H:8]([CH2:4][OH:24])[O:35]2)[C@@H:7]([CH2:3][OH:23])[O:33][CH:18]1[OH:32])[OH:25]
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:60949
chebi:60949
QOITYCLKNIWNMP-ZLPWQWAFSA-N 		alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-GlcNAc
(Gal)2 (GlcNAc)1
Gal-alpha1,4Gal-beta1,4-GlcNAc
P1
WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3/a4-b1_b4-c1
alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-GlcpNAc
alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosamine