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CHEBI:193576 - (16R,17S)-8-(4-Morpholinyl)-17-[2-(4-morpholinyl)-2-oxoethyl]-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-2-one

ChEBI IDCHEBI:193576
ChEBI Name(16R,17S)-8-(4-Morpholinyl)-17-[2-(4-morpholinyl)-2-oxoethyl]-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-2-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40N4O5
Net Charge0
Average Mass500.640
Monoisotopic Mass500.29987
SMILES[H][C@@]12CCCOc3ccc(N4CCOCC4)cc3CNCC(=O)N(CC[C@H]1CC(=O)N1CCOCC1)C2
InChIInChI=1S/C27H40N4O5/c32-26(30-9-14-35-15-10-30)17-21-5-6-31-20-22(21)2-1-11-36-25-4-3-24(29-7-12-34-13-8-29)16-23(25)18-28-19-27(31)33/h3-4,16,21-22,28H,1-2,5-15,17-20H2/t21-,22-/m0/s1
InChIKeyBIPMXAPKTIULTH-VXKWHMMOSA-N
ChEBI Ontology
Outgoing Relation(s)
(16R,17S)-8-(4-Morpholinyl)-17-[2-(4-morpholinyl)-2-oxoethyl]-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-2-one (CHEBI:193576) is a azamacrocycle (CHEBI:52898)
(16R,17S)-8-(4-Morpholinyl)-17-[2-(4-morpholinyl)-2-oxoethyl]-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-2-one (CHEBI:193576) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(16R,17S)-8-morpholin-4-yl-17-(2-morpholin-4-yl-2-oxoethyl)-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6(11),7,9-trien-2-one
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