skip to main content

Chemistry, part 3

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 > leucine derivative > aeruginosin k139
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > amino-acid derivative > leucine derivative > aeruginosin k139

Preferred term

aeruginosin k139  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46N6O7

inchi

  • InChI=1S/C30H46N6O7/c1-16(2)12-22(34-27(41)25(39)13-17-5-8-19(37)9-6-17)29(43)36-23-15-20(38)10-7-18(23)14-24(36)26(40)33-21-4-3-11-35(28(21)42)30(31)32/h5-6,8-9,16,18,20-25,28,37-39,42H,3-4,7,10-15H2,1-2H3,(H3,31,32)(H,33,40)(H,34,41)/t18-,20?,21?,22?,23-,24?,25?,28?/m0/s1

inchikey

  • KEXHNSJRBLHZIN-AAJPRWQTSA-N

mass

  • 602.733

monoisotopicmass

  • 602.34280

smiles

  • O=C(NC1C(O)N(C(=N)N)CCC1)C2N(C(=O)C(NC(=O)C(O)CC3=CC=C(O)C=C3)CC(C)C)[C@H]4CC(O)CC[C@H]4C2

subset

  • 2_STAR

synonym EXACT

  • (3aS,7aS)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-6-hydroxy-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213541

Download this concept:

RDF/XML TURTLE JSON-LD