CHEBI:211018 - JBIR-125

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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 JBIR-125
ChEBI ID CHEBI:211018
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H37N3O5
Net Charge 0
Average Mass 483.609
Monoisotopic Mass 483.27332
InChI InChI=1S/C27H37N3O5/c1-21(31)28-17-2-3-19-30(27(35)16-10-23-7-13-25(33)14-8-23)20-4-18-29-26(34)15-9-22-5-11-24(32)12-6-22/h5-8,11-14,32-33H,2-4,9-10,15-20H2,1H3,(H,28,31)(H,29,34)
InChIKey CTLBDGVEJCSDLM-UHFFFAOYSA-N
SMILES O=C(N(CCCNC(=O)CCC1=CC=C(O)C=C1)CCCCNC(=O)C)CCC2=CC=C(O)C=C2
Metabolite of Species Details
Streptomycesspecies R56-07 (NCBI:txid1070430) See: PubMed
ChEBI Ontology
Outgoing JBIR-125 (CHEBI:211018) is a phenols (CHEBI:33853)
IUPAC Name
N-[3-[4-acetamidobutyl-[3-(4-hydroxyphenyl)propanoyl]amino]propyl]-3-(4-hydroxyphenyl)propanamide
Manual Xref Database
28492872 ChemSpider
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