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CHEBI:168630 - Chlorin E6

ChEBI IDCHEBI:168630
ChEBI NameChlorin E6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H36N4O6
Net Charge0
Average Mass596.684
Monoisotopic Mass596.26348
SMILESC=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5nc(cc1n2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
InChIInChI=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
InChIKeyOYINILBBZAQBEV-HHGNVTQFSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
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