Search MNXref
 Feedback

beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc

PropertiesImage
MNX_IDMNXM733643 Image of MNXM733643
referencechebi:30248
formulaC26H45NO21
global charge0
mol weight707.632
InChIKeyAXQLFFDZXPOFPO-FSGZUBPKSA-N
InChIInChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23?,24+,25+,26+/m1/s1
SMILESCC(=O)N[C@H]1[C@H](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)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23?,24+,25+,26+/m1/s1 Image of MNXM733643
SMILES (mnx)[CH3:1][C:6](=[N:27][C@@H:11]1[C@@H:21]([O:47][C@H:25]2[C@H:18]([OH:39])[C@@H:15]([OH:36])[C@@H:12]([OH:33])[C@@H:7]([CH2:2][OH:28])[O:44]2)[C@H:13]([OH:34])[C@@H:8]([CH2:3][OH:29])[O:43][C@H:24]1[O:48][C@H:22]1[C@@H:14]([OH:35])[C@@H:9]([CH2:4][OH:30])[O:45][C@@H:26]([O:46][C@@H:20]2[C@@H:10]([CH2:5][OH:31])[O:42][CH:23]([OH:41])[C@H:17]([OH:38])[C@H:16]2[OH:37])[C@@H:19]1[OH:40])[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:30248
chebi:30248
AXQLFFDZXPOFPO-FSGZUBPKSA-N 		beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
(Gal)2 (Glc)1 (GlcNAc)1
Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc
LNT
Lacto-N-tetraose
Lc4
WURCS=2.0/3,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b3-c1_c3-d1
beta-D-gal-(1->3)-beta-D-glcNAc-(1->3)-beta-D-gal-(1->4)-D-glc
beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
beta-Gal1,3-beta-GlcNAc1,3-beta-Gal1,4-Glc
r-Lactotetraose-HSA

vmhM:lacnttr
vmhmetabolite:lacnttr
AXQLFFDZXPOFPO-FSGZUBPKSA-N 		Lacto-N-tetraose (HMO, PMID:11425797)

seed.compound:cpd03807
seedM:cpd03807
AXQLFFDZXPOFPO-FSGZUBPKSA-N 		Lacto-N-tetraose
Gal-beta-(1,3)-GlcNAc-beta-(1,3)-Gal-beta-(1,4)-Glc
LNT
Lc4
beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
lacto-N-tetraose
r-Lactotetraose-HSA

kegg.compound:C06371
keggC:C06371
AXQLFFDZXPOFPO-FSGZUBPKSA-N 		Lacto-N-tetraose
beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc

metacyc.compound:CPD-16473
metacycM:CPD-16473
AXQLFFDZXPOFPO-FSGZUBPKSA-N 		lacto-N-tetraose
Gal-beta-(1,3)-GlcNAc-beta-(1,3)-Gal-beta-(1,4)-Glc
LNT
beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
lacto-N-biose type I

chebi:10379
chebi:12348
chebi:13377
chebi:22759
chebi:22771
keggC:M_C06371
seedM:M_cpd03807
vmhM:M_lacnttr 		secondary/obsolete/fantasy identifier