N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:147749)

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CHEBI:147749 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI ID	CHEBI:147749
ChEBI Name	N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C52H88N2O40
Net Charge	0
Average Mass	1381.250
Monoisotopic Mass	1380.49134
SMILES	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H]3O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCS	WURCS=2.0/4,8,7/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-2-3-4-2-2-3/a4-b1_b3-c1_b6-g1_c4-d1_d3-e1_d4-f1_g4-h1
InChI	InChI=1S/C52H88N2O40/c1-11-23(63)28(68)34(74)49(81-11)93-43-22(54-13(3)62)47(85-19(9-60)42(43)92-50-35(75)29(69)25(65)15(5-56)84-50)90-41-18(8-59)87-51(37(77)32(41)72)94-44-26(66)20(88-52(38(44)78)91-39-16(6-57)82-45(79)33(73)30(39)70)10-80-48-36(76)31(71)40(17(7-58)86-48)89-46-21(53-12(2)61)27(67)24(64)14(4-55)83-46/h11,14-52,55-60,63-79H,4-10H2,1-3H3,(H,53,61)(H,54,62)/t11-,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-,41-,42+,43+,44-,45+,46-,47-,48+,49-,50-,51-,52-/m0/s1
InChIKey	UBDQHSJZWMYTAS-IGWOSQLMSA-N

ChEBI Ontology

Outgoing Relation(s)

N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:147749) is a oligosaccharide (CHEBI:50699)

Synonyms	Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose	SUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)Gal(b1-3)[GlcNAc(b1-4)Gal(b1-6)]Gal(b1-4)b-Glc	SUBMITTER

Manual Xrefs	Databases
G17680DJ	GlyTouCan
G17680DJ	GlyGen