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CHEBI:155587 - (2R,3R,4R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-2-carboxy-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4S)-1,3,5-trihydroxy-4-phosphonooxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:155587
ChEBI Name(2R,3R,4R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-2-carboxy-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4S)-1,3,5-trihydroxy-4-phosphonooxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC37H60NO35P
Net Charge0
Average Mass1109.833
Monoisotopic Mass1109.26835
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](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H](CO)[C@H](O)[C@H](CO)OP(=O)(O)O)[C@@H]4O)[C@@H]3O)O[C@@H]2C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C(O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/5,6,5/[h212h_2*OPO/3O/3=O][a2112h-1b_1-5][a2122A-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][a21EEA-1a_1-5]/1-2-2-3-4-5/a4-b1_b3-c1_c3-d1_d4-e1_e3-f1
InChIInChI=1S/C37H60NO35P/c1-7(44)38-13-25(67-34-21(52)18(49)19(50)29(71-34)31(56)57)15(46)9(3-40)63-33(13)70-28-20(51)22(53)35(72-30(28)32(58)59)68-27-17(48)11(5-42)66-37(24(27)55)69-26-16(47)10(4-41)65-36(23(26)54)64-8(2-39)14(45)12(6-43)73-74(60,61)62/h8-18,20-28,30,33-37,39-43,45-55H,2-6H2,1H3,(H,38,44)(H,56,57)(H,58,59)(H2,60,61,62)/t8-,9-,10-,11-,12+,13-,14+,15+,16+,17+,18+,20-,21-,22-,23-,24-,25-,26+,27+,28+,30+,33+,34-,35-,36-,37+/m1/s1
InChIKeyRPBJMISZVFOPQQ-KQRWIBKXSA-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,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4S)-1,3,5-trihydroxy-4-phosphonooxypentan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:155587) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G93538OQGlyTouCan
G93538OQGlyGen