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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoleucinolithocholic acid

Preferred term

isoleucinolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H51NO4

inchi

  • InChI=1S/C30H51NO4/c1-6-18(2)27(28(34)35)31-26(33)12-7-19(3)23-10-11-24-22-9-8-20-17-21(32)13-15-29(20,4)25(22)14-16-30(23,24)5/h18-25,27,32H,6-17H2,1-5H3,(H,31,33)(H,34,35)/t18-,19+,20+,21+,22-,23+,24-,25-,27-,29-,30+/m0/s1

inchikey

  • WBCYLXYPEVXXLN-NUJGGFAYSA-N

mass

  • 489.741

monoisotopicmass

  • 489.38181

smiles

  • CC[C@H](C)[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232190

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