(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6R)-6-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-6-carboxy-4-hydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:155251)

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CHEBI:155251 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6R)-6-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-6-carboxy-4-hydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure

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ChEBI ID	CHEBI:155251
ChEBI Name	(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6R)-6-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-6-carboxy-4-hydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C34H56N2O27
Net Charge	0
Average Mass	924.809
Monoisotopic Mass	924.30704
SMILES	CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H](CO)[C@@H](O)[C@@H]3O[C@@](OC[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)(C(=O)O)C[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O
WURCS	WURCS=2.0/2,4,3/[a2122h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-1-2/a6-b2_b8-c1_c6-d2
InChI	InChI=1S/C34H56N2O27/c1-9(39)35-17-11(41)3-33(31(53)54,62-27(17)19(44)13(43)5-37)58-8-16-21(46)24(49)26(51)30(61-16)60-14(6-38)22(47)28-18(36-10(2)40)12(42)4-34(63-28,32(55)56)57-7-15-20(45)23(48)25(50)29(52)59-15/h11-30,37-38,41-52H,3-8H2,1-2H3,(H,35,39)(H,36,40)(H,53,54)(H,55,56)/t11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29+,30+,33+,34+/m0/s1
InChIKey	SFIFQDYNAPUHIO-ULNOIHNESA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6R)-6-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-6-carboxy-4-hydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:155251) is a neuraminic acids (CHEBI:25508)

Synonyms	Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-gluco-hexopyranosyl-(1->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-gluco-hexopyranose	SUBMITTER
NeuAc(a2-6)Glc(b1-8)NeuAc(a2-6)b-Glc	SUBMITTER

Manual Xrefs	Databases
G92016HM	GlyTouCan