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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-oxoaspartylolithocholic acid

Preferred term

7-oxoaspartylolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50N4O5

inchi

  • InChI=1S/C30H50N4O5/c1-17(6-9-25(37)34-23(27(38)39)5-4-14-33-28(31)32)20-7-8-21-26-22(11-13-30(20,21)3)29(2)12-10-19(35)15-18(29)16-24(26)36/h17-23,26,35H,4-16H2,1-3H3,(H,34,37)(H,38,39)(H4,31,32,33)/t17-,18+,19-,20-,21+,22+,23+,26+,29+,30-/m1/s1

inchikey

  • YWQDRKXDBJOVKB-BXNYNJFOSA-N

mass

  • 546.753

monoisotopicmass

  • 546.37812

smiles

  • C[C@H](CCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)[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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232232

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