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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 > 7-oxoleucinolithocholic acid

Preferred term

7-oxoleucinolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H49NO5

inchi

  • InChI=1S/C30H49NO5/c1-17(2)14-24(28(35)36)31-26(34)9-6-18(3)21-7-8-22-27-23(11-13-30(21,22)5)29(4)12-10-20(32)15-19(29)16-25(27)33/h17-24,27,32H,6-16H2,1-5H3,(H,31,34)(H,35,36)/t18-,19+,20-,21-,22+,23+,24+,27+,29+,30-/m1/s1

inchikey

  • NNVDDEOLRYWJHX-PYOQXWFLSA-N

mass

  • 503.724

monoisotopicmass

  • 503.36107

smiles

  • CC(C)C[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](O)C[C@H]4CC3=O)C(O)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232247

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