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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > peptide anion > (13r)-glycinylcystein-s-yl-(14s)-hydroxy-(4z,7z,9e,11e,16z,19z)-docosahexaenoate(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > peptide anion > (13r)-glycinylcystein-s-yl-(14s)-hydroxy-(4z,7z,9e,11e,16z,19z)-docosahexaenoate(1-)
... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > fatty acid anion > long-chain fatty acid anion > docosanoid anion > (13r)-glycinylcystein-s-yl-(14s)-hydroxy-(4z,7z,9e,11e,16z,19z)-docosahexaenoate(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > fatty acid anion > long-chain fatty acid anion > docosanoid anion > (13r)-glycinylcystein-s-yl-(14s)-hydroxy-(4z,7z,9e,11e,16z,19z)-docosahexaenoate(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > monocarboxylic acid anion > fatty acid anion > long-chain fatty acid anion > docosanoid anion > (13r)-glycinylcystein-s-yl-(14s)-hydroxy-(4z,7z,9e,11e,16z,19z)-docosahexaenoate(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > fatty acid anion > long-chain fatty acid anion > docosanoid anion > (13r)-glycinylcystein-s-yl-(14s)-hydroxy-(4z,7z,9e,11e,16z,19z)-docosahexaenoate(1-)

Preferred term

(13r)-glycinylcystein-s-yl-(14s)-hydroxy-(4z,7z,9e,11e,16z,19z)-docosahexaenoate(1-)  

Type

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

charge

  • -1

formula

  • C27H39N2O6S

inchi

  • InChI=1S/C27H40N2O6S/c1-2-3-4-5-11-14-17-23(30)24(36-21-22(28)27(35)29-20-26(33)34)18-15-12-9-7-6-8-10-13-16-19-25(31)32/h3-4,6-7,9-15,18,22-24,30H,2,5,8,16-17,19-21,28H2,1H3,(H,29,35)(H,31,32)(H,33,34)/p-1/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t22-,23-,24+/m0/s1

inchikey

  • CPBQPRBQBDLLLA-VZUSUAOUSA-M

mass

  • 519.675

monoisotopicmass

  • 519.25343

smiles

  • [NH3+][C@H](C(=O)NCC(=O)[O-])CS[C@H](/C=C/C=C/C=C/C/C=C/CCC([O-])=O)[C@H](C/C=C/C/C=C/CC)O

subset

  • 3_STAR

synonym EXACT

  • (4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13-({(2R)-2-azaniumyl-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-14-hydroxydocosa-4,7,9,11,16,19-hexaenoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137408

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