CHEBI:213927 - Trienomycin I

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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 Trienomycin I
ChEBI ID CHEBI:213927
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H37NO6
Net Charge 0
Average Mass 483.605
Monoisotopic Mass 483.26209
InChI InChI=1S/C28H37NO6/c1-19-11-10-12-22-15-23(17-24(31)16-22)29-27(32)18-25(34-4)13-8-6-5-7-9-14-26(35-21(3)30)20(2)28(19)33/h5-9,11,13,15-17,20,25-26,28,31,33H,10,12,14,18H2,1-4H3,(H,29,32)/b6-5+,9-7+,13-8+,19-11-/t20-,25-,26-,28-/m0/s1
InChIKey ZDMGJRKPKOPHRY-DLQUQATOSA-N
SMILES O=C1NC2=CC(O)=CC(=C2)CCC=C([C@H](O)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)OC(=O)C)C
Metabolite of Species Details
Ochrobactrum (NCBI:txid528) See: PubMed
ChEBI Ontology
Outgoing Trienomycin I (CHEBI:213927) is a phenols (CHEBI:33853)
IUPAC Name
[(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] acetate
Manual Xref Database
68003745 ChemSpider
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