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Concept information

Preferred term

leukotriene c4-d5  

Type

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

charge

  • 0

formula

  • C30H42D5N3O9S

inchi

  • InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1/i1D3,2D2

inchikey

  • GWNVDXQDILPJIG-IHTYDPOPSA-N

mass

  • 630.810

monoisotopicmass

  • 630.33469

smiles

  • S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C/C/C=C/CCCC(C([2H])([2H])[2H])([2H])[2H])C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

subset

  • 2_STAR

synonym EXACT

  • (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulanyl-19,19,20,20,20-pentadeuterio-5-hydroxyicosa-7,9,11,14-tetraenoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185933

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