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CHEBI:90228 - epoxypheophorbide a

ChEBI IDCHEBI:90228
ChEBI Nameepoxypheophorbide a
Stars
DefinitionA member of the class of pheophorbides obtained by formal epoxidation of pheophorbide a.
Last Modified29 March 2021
SubmitterSteve
DownloadsMolfile
FormulaC35H36N4O6
Net Charge0
Average Mass608.695
Monoisotopic Mass608.26348
SMILESC=CC1=C(C)/C2=C/C3=N/C(=C4\c5nc(c(C)c5C(=O)[C@@H]4C(=O)OC)/C=C4\N=C(C(C)=C4CC)C4OC14N2)[C@@H](CCC(=O)O)[C@@H]3C
InChIInChI=1S/C35H36N4O6/c1-8-18-15(4)29-33-35(45-33)20(9-2)16(5)23(39-35)12-21-14(3)19(10-11-25(40)41)30(36-21)27-28(34(43)44-7)32(42)26-17(6)22(37-31(26)27)13-24(18)38-29/h9,12-14,19,28,33,37,39H,2,8,10-11H2,1,3-7H3,(H,40,41)/b23-12-,24-13-,30-27-/t14-,19-,28+,33?,35?/m0/s1
InChIKeyICQNLVYDPRIQAA-UJSYQKIMSA-N
ChEBI Ontology
Outgoing Relation(s)
epoxypheophorbide a (CHEBI:90228) has functional parent pheophorbide a (CHEBI:38257)
epoxypheophorbide a (CHEBI:90228) is a epoxide (CHEBI:32955)
epoxypheophorbide a (CHEBI:90228) is a pheophorbide (CHEBI:38254)
epoxypheophorbide a (CHEBI:90228) is conjugate acid of epoxypheophorbide a(1−) (CHEBI:88233)
Incoming Relation(s)
epoxypheophorbide a(1−) (CHEBI:88233) is conjugate base of epoxypheophorbide a (CHEBI:90228)
IUPAC Name 
3-[(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4,20,21,23,25-hexahydro-11H-phorbin-3-yl]propanoic acid
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