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Concept information

Preferred term

holrhizin p  

Type

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

Broader concept

charge

  • 0

formula

  • C40H64N6O10

inchi

  • InChI=1S/C40H64N6O10/c1-9-10-12-17-32(47)46-34(25(6)7)39(54)44-30(22-27-15-13-11-14-16-27)38(53)42-28(18-19-33(48)49)36(51)43-29(20-23(2)3)37(52)41-26(8)35(50)45-31(40(55)56)21-24(4)5/h11,13-16,23-26,28-31,34H,9-10,12,17-22H2,1-8H3,(H,41,52)(H,42,53)(H,43,51)(H,44,54)(H,45,50)(H,46,47)(H,48,49)(H,55,56)/t26-,28-,29-,30-,31-,34-/m0/s1

inchikey

  • LCCLYJHYSYPDBN-HLMVIKOSSA-N

mass

  • 788.984

monoisotopicmass

  • 788.46839

smiles

  • O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCC)C(C)C)CC1=CC=CC=C1)CCC(=O)O)CC(C)C)C)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223752

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