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

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ChEBI Name 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 ID CHEBI:181289
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H35NO6S
Net Charge 0
Average Mass 429.570
Monoisotopic Mass 429.21851
InChI InChI=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-
InChIKey XBLHNZRXAORYAC-KHQWPVHISA-N
SMILES S(C1C(O)(C=CC(OC)C(=CCCC(C(OC(=O)C1)C)C)C)C)CC(N)C(O)=O
ChEBI Ontology
Outgoing 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,9E)-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,9Z)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-6,9-dien-4-yl]sulanyl]propanoic acid
Manual Xref Database
29814582 ChemSpider
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