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 > 7-oxotryptophanolithocholic acid

Preferred term

7-oxotryptophanolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C35H48N2O5

inchi

  • InChI=1S/C35H48N2O5/c1-20(8-11-31(40)37-29(33(41)42)16-21-19-36-28-7-5-4-6-24(21)28)25-9-10-26-32-27(13-15-35(25,26)3)34(2)14-12-23(38)17-22(34)18-30(32)39/h4-7,19-20,22-23,25-27,29,32,36,38H,8-18H2,1-3H3,(H,37,40)(H,41,42)/t20-,22+,23-,25-,26+,27+,29+,32+,34+,35-/m1/s1

inchikey

  • RLIJACICRYTRCI-XEZZATLUSA-N

mass

  • 576.778

monoisotopicmass

  • 576.35632

smiles

  • C[C@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)[C@H]3CC[C@H]4[C@H]5[C@H](CC[C@]34C)[C@@]6(C)CC[C@@H](O)C[C@H]6CC5=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232245

Download this concept:

RDF/XML TURTLE JSON-LD