N-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154826)

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CHEBI:154826 - N-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI ID	CHEBI:154826
ChEBI Name	N-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C40H68N2O30
Net Charge	0
Average Mass	1056.968
Monoisotopic Mass	1056.38569
SMILES	CC(=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](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4NC(C)=O)[C@@H]3O)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[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
WURCS	WURCS=2.0/5,6,5/[a2112h-1x_1-5_2NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2NCC/3=O][a2112h-1a_1-5]/1-2-2-3-4-5/a3-b1_b3-c1_c2-d1_c3-e1_e3-f1
InChI	InChI=1S/C40H68N2O30/c1-9-19(50)25(56)27(58)37(62-9)72-34-33(71-36-18(42-11(3)49)31(22(53)14(6-45)64-36)69-38-28(59)26(57)20(51)12(4-43)65-38)24(55)16(8-47)67-40(34)70-32-23(54)15(7-46)66-39(29(32)60)68-30-17(41-10(2)48)35(61)63-13(5-44)21(30)52/h9,12-40,43-47,50-61H,4-8H2,1-3H3,(H,41,48)(H,42,49)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,34+,35?,36+,37-,38+,39-,40-/m0/s1
InChIKey	QHAFONUNZRYJEF-STVLCPGPSA-N

ChEBI Ontology

Outgoing Relation(s)

N-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154826) is a amino sugar (CHEBI:28963)

Synonyms	Source
alpha-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)]-beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose	SUBMITTER
Gal(a1-3)GalNAc(a1-3)[Fuc(a1-2)]Gal(b1-3)Gal(b1-3)GalNAc	SUBMITTER

Manual Xrefs	Databases
G84226PM	GlyTouCan