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Concept information

Preferred term

chlorin e6  

Type

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

Broader concept

charge

  • 0

formula

  • C34H36N4O6

inchi

  • InChI=1S/C34H36N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,35-36H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-,33-22-/t17-,21-/m0/s1

inchikey

  • OYINILBBZAQBEV-HHGNVTQFSA-N

mass

  • 596.684

monoisotopicmass

  • 596.26348

smiles

  • OC(=O)CC[C@H]1[C@@H](C=2N=C1C(=C3N=C(C(=C3C(O)=O)C)C=C4NC(=CC=5NC(C2)=C(C5C=C)C)C(=C4CC)C)CC(O)=O)C

subset

  • 2_STAR

synonym EXACT

  • (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168630

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