CHEBI:169141 - Plantaricin BN

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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 Plantaricin BN
ChEBI ID CHEBI:169141
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H36O10
Net Charge 0
Average Mass 484.542
Monoisotopic Mass 484.23085
InChI InChI=1S/C24H36O10/c25-17(26)7-13-23(14-8-18(27)28)11-5-3-1-2-4-6-12-24(15-9-19(29)30,16-10-20(31)32)22(34)21(23)33/h1-16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKey ZPAOCLAKRURAOZ-UHFFFAOYSA-N
SMILES O=C1C(CCCCCCCCC(C1=O)(CCC(O)=O)CCC(O)=O)(CCC(O)=O)CCC(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Plantaricin BN (CHEBI:169141) has functional parent tetracarboxylic acid (CHEBI:35742)
Plantaricin BN (CHEBI:169141) is a organooxygen compound (CHEBI:36963)
IUPAC Name
3-[1,4,4-tris(2-carboxyethyl)-2,3-dioxocyclododecyl]propanoic acid
Manual Xrefs Databases
337548 ChemSpider
HMDB0038238 HMDB
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