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Chemistry, part 3

Content language

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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 > alaninodeoxycholic acid

Preferred term

alaninodeoxycholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H45NO5

inchi

  • InChI=1S/C27H45NO5/c1-15(5-10-24(31)28-16(2)25(32)33)20-8-9-21-19-7-6-17-13-18(29)11-12-26(17,3)22(19)14-23(30)27(20,21)4/h15-23,29-30H,5-14H2,1-4H3,(H,28,31)(H,32,33)/t15-,16+,17-,18-,19+,20-,21+,22+,23+,26+,27-/m1/s1

inchikey

  • UUMHESNLNMWIQK-OPUASHEASA-N

mass

  • 463.659

monoisotopicmass

  • 463.32977

smiles

  • C[C@H](CCC(=O)N[C@@H](C)C(O)=O)[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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232221

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