skip to main content

Chemistry, part 2

Content language

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

Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > pyrenulic acid c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > pyrenulic acid c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > pyrenulic acid c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > pyrenulic acid c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > medium-chain fatty acid > pyrenulic acid c

Preferred term

pyrenulic acid c  

Type

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

Broader concept

charge

  • 0

formula

  • C26H36O6

inchi

  • InChI=1S/C26H36O6/c1-15-9-10-19-18(13-15)14-17(3)22-25(4)24(16(2)11-12-31-25)32-20(23(29)26(19,22)30)7-5-6-8-21(27)28/h5-9,14,16,18-20,22-24,29-30H,10-13H2,1-4H3,(H,27,28)/b7-5+,8-6+/t16-,18+,19-,20-,22+,23-,24-,25+,26-/m0/s1

inchikey

  • ROAXMKARTPGXAB-YWHGVYKSSA-N

mass

  • 444.568

monoisotopicmass

  • 444.25119

smiles

  • O=C(O)/C=C/C=C/[C@@H]1O[C@@H]2[C@@](OCC[C@@H]2C)(C)[C@@H]3[C@@]([C@H]1O)(O)[C@@H]4[C@H](CC(C)=CC4)C=C3C

subset

  • 2_STAR

synonym EXACT

  • (2E,4E)-5-[(1S,2R,6S,7S,9S,10S,11S,12S,17R)-10,11-dihydroxy-2,6,15,19-tetramethyl-3,8-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-14,18-dien-9-yl]penta-2,4-dienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200725

Download this concept:

RDF/XML TURTLE JSON-LD