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CHEBI:88233 - epoxypheophorbide a(1−)

ChEBI IDCHEBI:88233
ChEBI Nameepoxypheophorbide a(1−)
Stars
ASCII Nameepoxypheophorbide a(1-)
DefinitionA cyclic tetrapyrrole anion that is the conjuagte base of epoxypheophorbide a. Major microspecies at pH 7.3 (according to Marvin v. 6.2.0).
Last Modified3 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC35H35N4O6
Net Charge-1
Average Mass607.687
Monoisotopic Mass607.25621
SMILESC=CC1=C(C)/C2=C/C3=[NH+]/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/b23-12-,24-13-,30-27-/t14-,19-,33?,35?/m0/s1
InChIKeyZMTPZDVBGYNPLZ-YGOWEZGDSA-N
ChEBI Ontology
Outgoing Relation(s)
epoxypheophorbide a(1−) (CHEBI:88233) is a cyclic tetrapyrrole anion (CHEBI:58941)
epoxypheophorbide a(1−) (CHEBI:88233) is conjugate acid of epoxypheophorbide a(2−) (CHEBI:88232)
epoxypheophorbide a(1−) (CHEBI:88233) is conjugate base of epoxypheophorbide a (CHEBI:90228)
Incoming Relation(s)
epoxypheophorbide a (CHEBI:90228) is conjugate acid of epoxypheophorbide a(1−) (CHEBI:88233)
epoxypheophorbide a(2−) (CHEBI:88232) is conjugate base of epoxypheophorbide a(1−) (CHEBI:88233)
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-26-ium-21-id-3-yl]propanoate
UniProt Name  Source
epoxypheophorbide aUniProt
Manual XrefsDatabases
CPD-18666MetaCyc