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CHEBI:88232 - epoxypheophorbide a(2−)

ChEBI IDCHEBI:88232
ChEBI Nameepoxypheophorbide a(2−)
Stars
ASCII Nameepoxypheophorbide a(2-)
DefinitionA cyclic tetrapyrrole anion obtained by removal of two protons from the carboxy and acidic methylene groups of epoxypheophorbide a.
Last Modified5 November 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC35H34N4O6
Net Charge-2
Average Mass606.679
Monoisotopic Mass606.24893
SMILESC=CC1=C(C)/C2=C/C3=N/C(=C4\c5nc(c(C)c5C(=O)[C-]4C(=O)OC)/C=C4\N=C(C(C)=C4CC)C4OC14N2)[C@@H](CCC(=O)[O-])[C@@H]3C
InChIInChI=1S/C35H35N4O6/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/h9,12-14,19,33,37,39H,2,8,10-11H2,1,3-7H3,(H,40,41)/q-1/p-1/b23-12-,24-13-,30-27-/t14-,19-,33?,35?/m0/s1
InChIKeyZMTPZDVBGYNPLZ-YGOWEZGDSA-M
ChEBI Ontology
Outgoing Relation(s)
epoxypheophorbide a(2−) (CHEBI:88232) is a cyclic tetrapyrrole anion (CHEBI:58941)
epoxypheophorbide a(2−) (CHEBI:88232) is conjugate base of epoxypheophorbide a(1−) (CHEBI:88233)
Incoming Relation(s)
epoxypheophorbide a(1−) (CHEBI:88233) is conjugate acid of epoxypheophorbide a(2−) (CHEBI:88232)
IUPAC Name 
3-[(3S,4S)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4,20,21,23,25-hexahydro-11H-phorbin-21-id-3-yl]propanoate
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