EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:155855 - 4-[(1R,2R,4aS,5S,8aR)-2-[(2R,3R,5E,7E)-3-ethyl-2-hydroxy-5,7-dimethylnona-5,7-dien-1-yl]-5-hydroxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate

ChEBI IDCHEBI:155855
ChEBI Name4-[(1R,2R,4aS,5S,8aR)-2-[(2R,3R,5E,7E)-3-ethyl-2-hydroxy-5,7-dimethylnona-5,7-dien-1-yl]-5-hydroxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate
Stars
ASCII Name4-[(1R,2R,4aS,5S,8aR)-2-[(2R,3R,5E,7E)-3-ethyl-2-hydroxy-5,7-dimethylnona-5,7-dien-1-yl]-5-hydroxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-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
SMILES[H][C@@]12CCC[C@H](O)[C@@]1([H])C=C[C@@H](C[C@@H](O)[C@H](CC)C/C(C)=C/C(C)=C/C)[C@@]2(C)C(=O)C1=C([O-])C(=C)NC1=O
InChIInChI=1S/C30H43NO5/c1-7-17(3)14-18(4)15-20(8-2)25(33)16-21-12-13-22-23(10-9-11-24(22)32)30(21,6)28(35)26-27(34)19(5)31-29(26)36/h7,12-14,20-25,32-34H,5,8-11,15-16H2,1-4,6H3,(H,31,36)/p-1/b17-7+,18-14+/t20-,21+,22+,23-,24+,25-,30-/m1/s1
InChIKeyWAHHOBXSQMNWES-RPKBUXNYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-[(1R,2R,4aS,5S,8aR)-2-[(2R,3R,5E,7E)-3-ethyl-2-hydroxy-5,7-dimethylnona-5,7-dien-1-yl]-5-hydroxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate (CHEBI:155855) is a pyrroles (CHEBI:26455)
UniProt Name  Source
4-[(1R,2R,4aS,5S,8aR)-2-[(2R,3R,5E,7E)-3-ethyl-2-hydroxy-5,7-dimethylnona-5,7-dien-1-yl]-5-hydroxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olateUniProt
Citations