skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

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

Preferred term

alaninochenodeoxycholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H45NO5

inchi

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

inchikey

  • HHGKPVQSNIVPPF-ZNFFIOPCSA-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]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232203

Download this concept:

RDF/XML TURTLE JSON-LD