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Concept information

Preferred term

D octopine (1)  

Type

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

charge

  • -1

formula

  • C9H17N4O4

inchi

  • InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/p-1/t5-,6+/m1/s1

inchikey

  • IMXSCCDUAFEIOE-RITPCOANSA-M

mass

  • 245.25620

monoisotopicmass

  • 245.12553

smiles

  • C[C@@H](N[C@@H](CCCNC(N)=[NH2+])C([O-])=O)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (2S)-5-[(ammoniocarbonoimidoyl)amino]-2-{[(1R)-1-carboxylatoethyl]amino}pentanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67037

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