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CHEBI:181289 - 2-Amino-3-[[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-6,9-dien-4-yl]sulfanyl]propanoic acid

ChEBI IDCHEBI:181289
ChEBI Name2-Amino-3-[[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-6,9-dien-4-yl]sulfanyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H35NO6S
Net Charge0
Average Mass429.579
Monoisotopic Mass429.21851
SMILESCOC1/C=C/C(C)(O)C(SCC(N)C(=O)O)CC(=O)OC(C)C(C)CC/C=C\1C
InChIInChI=1S/C21H35NO6S/c1-13-7-6-8-14(2)17(27-5)9-10-21(4,26)18(11-19(23)28-15(13)3)29-12-16(22)20(24)25/h8-10,13,15-18,26H,6-7,11-12,22H2,1-5H3,(H,24,25)/b10-9+,14-8-
InChIKeyXBLHNZRXAORYAC-KHQWPVHISA-N
ChEBI Ontology
Outgoing Relation(s)
2-Amino-3-[[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-6,9-dien-4-yl]sulfanyl]propanoic acid (CHEBI:181289) is a macrolide (CHEBI:25106)
IUPAC Names 
2-amino-3-[[(6E,9Z)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-6,9-dien-4-yl]sulanyl]propanoic acid
2-amino-3-[[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-6,9-dien-4-yl]sulanyl]propanoic acid
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