skip to main content

Chemistry, part 2

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 > isoprenoid > terpenoid > monoterpenoid > (5r,8s,9s,10s,11s,13r,14s,15r,16e,18e)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > (5r,8s,9s,10s,11s,13r,14s,15r,16e,18e)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione

Preferred term

(5r,8s,9s,10s,11s,13r,14s,15r,16e,18e)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione  

Type

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

Broader concept

charge

  • 0

formula

  • C29H36N2O4

inchi

  • InChI=1S/C29H36N2O4/c1-3-17-15-21-25(16(17)2)20-12-10-18-11-13-23(32)27-28(34)22(31-29(27)35)8-6-14-30-24(33)9-5-4-7-19(18)26(20)21/h4-5,7,9-13,16-22,25-26,32H,3,6,8,14-15H2,1-2H3,(H,30,33)(H,31,35)/b7-4+,9-5+,13-11?,27-23?/t16-,17-,18+,19+,20-,21+,22?,25+,26-/m0/s1

inchikey

  • BIOWYFXUBBMGKM-LXTLZQNZSA-N

mass

  • 476.617

monoisotopicmass

  • 476.26751

smiles

  • O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](C=CC=C1)[C@H]4[C@H]([C@H]5[C@@H](C)[C@H](C[C@@H]45)CC)C=C3

subset

  • 2_STAR

synonym EXACT

  • (5R,8S,9S,10S,11S,13R,14S,15R,16E,18E)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222017

Download this concept:

RDF/XML TURTLE JSON-LD