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CHEBI:146030 - 3-O-[(R)-lactoyl]-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-3-O-[(R)-lactoyl]-β-D-Glcp-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:146030
ChEBI Name3-O-[(R)-lactoyl]-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-3-O-[(R)-lactoyl]-β-D-Glcp-(1→4)-D-GlcpNAc
Stars
ASCII Name3-O-[(R)-lactoyl]-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-3-O-[(R)-lactoyl]-beta-D-Glcp-(1->4)-D-GlcpNAc
DefinitionAn amino tetrasaccharide consisting of 2-acetamido-3-O-[(R)-lactoyl]-β-D-glucopyranosyl, 2-acetamido-β-D-glucopyranosyl, 2-acetamido-3-O-[(R)-lactoyl]-β-D-glucopyranosyl, and 2-acetamido-β-D-glucopyranosyl residues joined together in sequence by (1→4) glycosidic linkages. NB The SNFG depiction of this compound by GlyTouCan depicts N-acetylmuramic acid groups instead of the 2-acetamido-3-O-[(R)-lactoyl]-β-D-glucopyranosyl groups shown in both the SID (submitted by GlyTouCan) and CID entries in PubChem. It is not clear which compound is intended.
Last Modified25 February 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC38H62N4O25
Net Charge0
Average Mass974.917
Monoisotopic Mass974.37031
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](OC(=O)[C@@H](C)O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)[C@@H](C)O)[C@H]2NC(C)=O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O_3*OCC^RC/4O/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b4-c1_c4-d1
InChIInChI=1S/C38H62N4O25/c1-11(47)33(56)63-31-23(41-15(5)51)37(60-17(7-43)25(31)53)66-29-19(9-45)61-36(22(27(29)55)40-14(4)50)67-30-20(10-46)62-38(24(42-16(6)52)32(30)64-34(57)12(2)48)65-28-18(8-44)59-35(58)21(26(28)54)39-13(3)49/h11-12,17-32,35-38,43-48,53-55,58H,7-10H2,1-6H3,(H,39,49)(H,40,50)(H,41,51)(H,42,52)/t11-,12-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,35?,36+,37+,38+/m1/s1
InChIKeyYVHNFBDUTFFLTE-YXLCYRBMSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-[(R)-lactoyl]-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-3-O-[(R)-lactoyl]-β-D-Glcp-(1→4)-D-GlcpNAc (CHEBI:146030) is a acetamides (CHEBI:22160)
3-O-[(R)-lactoyl]-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-3-O-[(R)-lactoyl]-β-D-Glcp-(1→4)-D-GlcpNAc (CHEBI:146030) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Name 
2-acetamido-2-deoxy-3-O-[(2R)-2-hydroxypropanoyl]-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-3-O-[(2R)-2-hydroxypropanoyl]-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-4-[(2R)-2-hydroxypropanoyl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2R)-2-hydroxypropanoateIUPAC
3-O-[(R)-2-hydroxypropanoyl]-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-3-O-[(R)-2-hydroxypropanoyl]-β-D-Glcp-(1→4)-D-GlcpNAcChEBI
Manual XrefsDatabases
G00023MOGlyTouCan
G00023MOGlyGen