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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > histidine derivative > pelianthinarubin a

Preferred term

pelianthinarubin a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • +1

formula

  • C23H26N5O6

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

mass

  • 468.489

monoisotopicmass

  • 468.18776

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

subset

  • 2_STAR

synonym EXACT

  • [(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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227591

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