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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

فئوفیتین a(1)  

Type

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

charge

  • -1

formula

  • C55H73N4O5

inchi

  • InChI=1S/C55H73N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,56,59H,1,14-25,27H2,2-12H3/q-1/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+/m1/s1

inchikey

  • LLVXKSZYOLYEIN-YYKPLYOQSA-N

is_conjugate_base_of

mass

  • 870.194

monoisotopicmass

  • 869.55865

smiles

  • C1=2NC(C=C3N=C(C=C4NC5=C(C6=NC(=C1)[C@H]([C@@H]6CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)/C)=O)C)[C-](C(C5=C4C)=O)C(=O)OC)C(=C3C)CC)=C(C2C)C=C

subset

  • 3_STAR

synonym EXACT

  • (3S,4S)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbin-21-ide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136840

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