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Chemistry, part 1

Content language

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Concept information

organooxygen compound > pentasine

Preferred term

pentasine  

Type

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

Broader concept

charge

  • +1

formula

  • C30H49N6O10

has_functional_parent

inchi

  • InChI=1S/C30H48N6O10/c31-20(26(37)38)6-2-1-5-18(9-12-23(34)29(43)44)25-19(10-13-24(35)30(45)46)15-17(8-11-22(33)28(41)42)16-36(25)14-4-3-7-21(32)27(39)40/h5,15-16,20-24H,1-4,6-14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1/b18-5+/t20-,21-,22-,23-,24-/m0/s1

inchikey

  • PQAACQBDHKVCSF-ZJGVIXKBSA-O

mass

  • 653.753

monoisotopicmass

  • 653.35047

smiles

  • OC(=O)[C@@H](N)CCC1=C([N+](CCCC[C@H](N)C(O)=O)=CC(=C1)CC[C@H](N)C(O)=O)/C(/CC[C@H](N)C(O)=O)=C/CCC[C@H](N)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (E,2S,10S)-2,10-diamino-5-[1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridin-1-ium-2-yl]undec-5-enedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172785

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