skip to main content

Chemistry, part 1

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > phenylalanine derivative > abenquine a

Preferred term

abenquine a  

Type

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

Broader concept

charge

  • 0

formula

  • C17H16N2O5

inchi

  • InChI=1S/C17H16N2O5/c1-10(20)18-12-8-16(22)13(9-15(12)21)19-14(17(23)24)7-11-5-3-2-4-6-11/h2-6,8-9,14,19H,7H2,1H3,(H,18,20)(H,23,24)/t14-/m0/s1

inchikey

  • JIPASBHCRXZNBN-AWEZNQCLSA-N

mass

  • 328.324

monoisotopicmass

  • 328.10592

smiles

  • O=C1C(NC(=O)C)=CC(=O)C(=C1)N[C@H](C(=O)O)CC2=CC=CC=C2

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-phenylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210855

Download this concept:

RDF/XML TURTLE JSON-LD