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CHEBI:155854 - 4-[(2E,7S,8E,10E,13R,14R,16E,18E)-14-ethyl-7,13-dihydroxy-2,16,18-trimethylicosa-2,8,10,16,18-pentaenoyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate

ChEBI IDCHEBI:155854
ChEBI Name4-[(2E,7S,8E,10E,13R,14R,16E,18E)-14-ethyl-7,13-dihydroxy-2,16,18-trimethylicosa-2,8,10,16,18-pentaenoyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate
Stars
ASCII Name4-[(2E,7S,8E,10E,13R,14R,16E,18E)-14-ethyl-7,13-dihydroxy-2,16,18-trimethylicosa-2,8,10,16,18-pentaenoyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate
DefinitionIntermediate in the biosynthesis of pyrroindomycin antibiotics. Major species at pH 7.3.
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC30H42NO5
Net Charge-1
Average Mass496.668
Monoisotopic Mass496.30685
SMILESC=C1NC(=O)C(C(=O)/C(C)=C/CCC[C@H](O)/C=C/C=C/C[C@@H](O)[C@H](CC)C/C(C)=C/C(C)=C/C)=C1[O-]
InChIInChI=1S/C30H43NO5/c1-7-20(3)18-21(4)19-24(8-2)26(33)17-11-9-10-15-25(32)16-13-12-14-22(5)28(34)27-29(35)23(6)31-30(27)36/h7,9-11,14-15,18,24-26,32-33,35H,6,8,12-13,16-17,19H2,1-5H3,(H,31,36)/p-1/b11-9+,15-10+,20-7+,21-18+,22-14+/t24-,25-,26-/m1/s1
InChIKeyFCGZEXQWFXATHB-NGHADPOJSA-M
ChEBI Ontology
Outgoing Relation(s)
4-[(2E,7S,8E,10E,13R,14R,16E,18E)-14-ethyl-7,13-dihydroxy-2,16,18-trimethylicosa-2,8,10,16,18-pentaenoyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate (CHEBI:155854) is a pyrroles (CHEBI:26455)
UniProt Name  Source
4-[(2E,7S,8E,10E,13R,14R,16E,18E)-14-ethyl-7,13-dihydroxy-2,16,18-trimethylicosa-2,8,10,16,18-pentaenoyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olateUniProt
Citations