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CHEBI:136840 - pheophytin a(1−)

ChEBI IDCHEBI:136840
ChEBI Namepheophytin a(1−)
Stars
ASCII Namepheophytin a(1-)
DefinitionA cyclic tetrapyrrole anion that is the carbanion obtained by removal of the acidic proton from position 21 of pheophytin a. Major species at pH 7.3
Last Modified22 August 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC55H73N4O5
Net Charge-1
Average Mass870.212
Monoisotopic Mass869.55865
SMILESC=Cc1c(C)c2cc3nc(c4c5nc(cc6nc(cc1n2)C(C)=C6CC)c(C)c5C(=O)[C-]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C
InChIInChI=1S/C55H73N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,56,59H,1,14-25,27H2,2-12H3/q-1/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+/m1/s1
InChIKeyLLVXKSZYOLYEIN-YYKPLYOQSA-N
ChEBI Ontology
Outgoing Relation(s)
pheophytin a(1−) (CHEBI:136840) is a cyclic tetrapyrrole anion (CHEBI:58941)
pheophytin a(1−) (CHEBI:136840) is conjugate base of pheophytin a (CHEBI:44898)
Incoming Relation(s)
pheophytin a (CHEBI:44898) is conjugate acid of pheophytin a(1−) (CHEBI:136840)
IUPAC Name 
(3S,4S)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbin-21-ide
UniProt Name  Source
pheophytin aUniProt