CHEBI:224432 - Fimsbactin D

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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 Fimsbactin D
ChEBI ID CHEBI:224432
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H28N4O10
Net Charge 0
Average Mass 544.517
Monoisotopic Mass 544.18054
InChI InChI=1S/C25H28N4O10/c1-13(30)26-9-4-10-27-22(35)16(12-39-25(37)15-6-3-8-19(32)21(15)34)28-23(36)17-11-38-24(29-17)14-5-2-7-18(31)20(14)33/h2-3,5-8,16-17,31-34H,4,9-12H2,1H3,(H,26,30)(H,27,35)(H,28,36)/t16-,17-/m0/s1
InChIKey AIGALQWZVLEUFI-IRXDYDNUSA-N
SMILES O=C(OC[C@H](NC(=O)[C@H]1N=C(C2=C(O)C(O)=CC=C2)OC1)C(=O)NCCCNC(=O)C)C3=C(O)C(O)=CC=C3
Metabolite of Species Details
Acinetobacter baumannii ATCC 17978 (NCBI:txid400667) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Fimsbactin D (CHEBI:224432) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
[(2S)-3-(3-acetamidopropylamino)-2-[[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-3-oxopropyl] 2,3-dihydroxybenzoate
Manual Xref Database
78440304 ChemSpider
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