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CHEBI:147992 - (2R,3R,4R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-2-carboxy-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:147992
ChEBI Name(2R,3R,4R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-2-carboxy-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC37H57NO38S2
Net Charge0
Average Mass1187.966
Monoisotopic Mass1187.20000
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5CO[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)O[C@H](CO)[C@@H]3OS(=O)(=O)O)O[C@@H]2C(=O)O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O[C@@H]1OC(C(=O)O)=C(O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/6,6,5/[a212h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_4*OSO/3=O/3=O][a2122A-1b_1-5][a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a21EEA-1a_1-5]/1-2-3-4-5-6/a4-b1_b3-c1_c3-d1_d4-e1_e3-f1
InChIInChI=1S/C37H57NO38S2/c1-6(42)38-11-24(69-34-18(49)14(45)15(46)28(73-34)30(53)54)22(75-77(58,59)60)8(3-40)66-33(11)71-26-16(47)19(50)35(74-29(26)31(55)56)72-27-21(52)37(67-9(4-41)23(27)76-78(61,62)63)70-25-13(44)7(2-39)65-36(20(25)51)68-10-5-64-32(57)17(48)12(10)43/h7-14,16-27,29,32-37,39-41,43-52,57H,2-5H2,1H3,(H,38,42)(H,53,54)(H,55,56)(H,58,59,60)(H,61,62,63)/t7-,8-,9-,10-,11-,12+,13+,14+,16-,17-,18-,19-,20-,21-,22+,23+,24-,25+,26+,27-,29+,32-,33+,34-,35-,36+,37+/m1/s1
InChIKeyJUHMCWBHSGEKDA-AXTGZQDCSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-2-carboxy-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:147992) is a oligosaccharide sulfate (CHEBI:37909)
Manual XrefsDatabases
G15667CYGlyTouCan
G15667CYGlyGen