CHEBI:227591 - Pelianthinarubin A

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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 Pelianthinarubin A
ChEBI ID CHEBI:227591
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26N5O6
Net Charge +1
Average Mass 468.489
Monoisotopic Mass 468.18776
InChI InChI=1S/C23H25N5O6/c1-28(2,3)15(23(33)34)7-12-9-26(10-25-12)13-4-5-27-14(22(31)32)6-11-8-24-18-16(11)19(27)17(13)20(29)21(18)30/h8-10,13-15H,4-7H2,1-3H3,(H2-,24,29,30,31,32,33,34)/p+1/t13-,14+,15+/m1/s1
InChIKey CUYHMRHBVJBMGH-ILXRZTDVSA-O
SMILES O=C1C(=O)C=2NC=C3C2C4=C1[C@H](N5C=NC(=C5)C[C@H]([N+](C)(C)C)C(=O)O)CCN4[C@H](C(=O)O)C3
Metabolite of Species Details
Mycena pelianthina (NCBI:txid646160) See: PubMed
ChEBI Ontology
Outgoing Pelianthinarubin A (CHEBI:227591) is a histidine derivative (CHEBI:24599)
IUPAC Name
[(1S)-1-carboxy-2-[1-[(3S,7R)-3-carboxy-9,10-dioxo-4,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),8(15),11(14)-trien-7-yl]imidazol-4-yl]ethyl]-trimethylazanium
Manual Xref Database
78443803 ChemSpider
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