EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:155856 - (1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,12,22(25)-trien-25-olate

ChEBI IDCHEBI:155856
ChEBI Name(1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,12,22(25)-trien-25-olate
Stars
ASCII Name(1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.0(1,6).0(11,20).0(14,19)]pentacosa-4,12,22(25)-trien-25-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]1C[C@@H](O)[C@H](CC)C[C@]3(C)C=C(C)[C@H](C)C[C@]34NC(=O)C(=C4[O-])C(=O)[C@]12C
InChIInChI=1S/C30H43NO5/c1-6-18-15-28(4)13-16(2)17(3)14-30(28)26(35)24(27(36)31-30)25(34)29(5)19(12-23(18)33)10-11-20-21(29)8-7-9-22(20)32/h10-11,13,17-23,32-33,35H,6-9,12,14-15H2,1-5H3,(H,31,36)/p-1/t17-,18-,19+,20+,21-,22+,23-,28+,29-,30-/m1/s1
InChIKeyFVMMLTQICWHKRS-XEYQCMGESA-M
ChEBI Ontology
Outgoing Relation(s)
(1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,12,22(25)-trien-25-olate (CHEBI:155856) is a spiro compound (CHEBI:33599)
UniProt Name  Source
(1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,12,22(25)-trien-25-olateUniProt
Citations