CHEBI:168630 - Chlorin E6

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Chlorin E6
ChEBI ID CHEBI:168630
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB7345179, eMolecules:514387
Download Molfile XML SDF
Formula C34H36N4O6
Net Charge 0
Average Mass 596.684
Monoisotopic Mass 596.26348
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
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
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Biological Role(s): cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via porphyrins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Chlorin E6 (CHEBI:168630) is a chlorins (CHEBI:33910)
IUPAC Name
(17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid