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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 > leucinodeoxycholic acid

Preferred term

leucinodeoxycholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H51NO5

inchi

  • InChI=1S/C30H51NO5/c1-17(2)14-25(28(35)36)31-27(34)11-6-18(3)22-9-10-23-21-8-7-19-15-20(32)12-13-29(19,4)24(21)16-26(33)30(22,23)5/h17-26,32-33H,6-16H2,1-5H3,(H,31,34)(H,35,36)/t18-,19-,20-,21+,22-,23+,24+,25+,26+,29+,30-/m1/s1

inchikey

  • RKYMGSQLTHKABZ-DTHHIQQKSA-N

mass

  • 505.740

monoisotopicmass

  • 505.37672

smiles

  • CC(C)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]3C[C@H](O)[C@]12C)C(O)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232228

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