CHEBI:222454 - Labrenzbactin

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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 Labrenzbactin
ChEBI ID CHEBI:222454
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H36N4O10
Net Charge 0
Average Mass 636.658
Monoisotopic Mass 636.24314
InChI InChI=1S/C32H36N4O10/c1-45-25-13-6-9-20(28(25)41)30(43)33-14-2-3-16-36(17-7-15-34-29(42)19-8-4-11-23(37)26(19)39)32(44)22-18-46-31(35-22)21-10-5-12-24(38)27(21)40/h4-6,8-13,22,37-41H,2-3,7,14-18H2,1H3,(H,33,43)(H,34,42)/t22-/m0/s1
InChIKey PVABLKKBFSBUDV-QFIPXVFZSA-N
SMILES O=C(NCCCCN(C(=O)[C@H]1N=C(C2=C(O)C(O)=CC=C2)OC1)CCCNC(=O)C3=C(O)C(O)=CC=C3)C4=C(O)C(OC)=CC=C4
Metabolite of Species Details
Labrenziaspecies (NCBI:txid1885934) See: PubMed
ChEBI Ontology
Outgoing Labrenzbactin (CHEBI:222454) is a methoxybenzenes (CHEBI:51683)
Labrenzbactin (CHEBI:222454) is a phenols (CHEBI:33853)
IUPAC Name
(4S)-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-N-[4-[(2-hydroxy-3-methoxybenzoyl)amino]butyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
Manual Xref Database
76827111 ChemSpider
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