skip to main content

Chemistry, part 1

Content language

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

Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > penicillenic acid > benzylpenicillenic acid
... > organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > penicillenic acid > benzylpenicillenic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > penicillenic acid > benzylpenicillenic acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > penicillenic acid > benzylpenicillenic acid

Preferred term

benzylpenicillenic acid  

Type

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

Broader concept

Narrower concepts

charge

  • 0

formula

  • C16H18N2O4S

has_role

inchi

  • InChI=1S/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/t13-/m0/s1

inchikey

  • WGIWOHWWPXKJMS-ZDUSSCGKSA-N

is_conjugate_acid_of

mass

  • 334.39000

monoisotopicmass

  • 334.09873

smiles

  • [H]C(N[C@@H](C(O)=O)C(C)(C)S)=C1N=C(Cc2ccccc2)OC1=O

subset

  • 3_STAR

synonym EXACT

  • N-[(2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-3-sulfanyl-D-valine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:60209

Download this concept:

RDF/XML TURTLE JSON-LD