CHEBI:215321 - Paraphaeosphaeride A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Paraphaeosphaeride A
ChEBI ID CHEBI:215321
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H21NO6S
Net Charge 0
Average Mass 367.420
Monoisotopic Mass 367.10896
InChI InChI=1S/C17H21NO6S/c1-3-4-5-6-11-17(2,23)14(19)12-13(24-11)9-7-25-8-10(16(21)22)18(9)15(12)20/h8-9,11,23H,3-7H2,1-2H3,(H,21,22)/t9-,11+,17+/m1/s1
InChIKey GLOXYNJNKIDEIR-NVTQBHAOSA-N
SMILES S1C=C(N2C(=O)C3=C([C@H]2C1)O[C@H]([C@@](O)(C)C3=O)CCCCC)C(=O)O
Metabolite of Species Details
Paraphaeosphaeria (NCBI:txid125369) See: PubMed
ChEBI Ontology
Outgoing Paraphaeosphaeride A (CHEBI:215321) has functional parent α-amino acid (CHEBI:33704)
Paraphaeosphaeride A (CHEBI:215321) is a organonitrogen compound (CHEBI:35352)
Paraphaeosphaeride A (CHEBI:215321) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,4S,5S)-5-hydroxy-5-methyl-6,8-dioxo-4-pentyl-3-oxa-12-thia-9-azatricyclo[7.4.0.02,7]trideca-2(7),10-diene-10-carboxylic acid
Manual Xref Database
35000190 ChemSpider
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