CHEBI:136840 - pheophytin a(1−)

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ChEBI Name pheophytin a(1−)
ChEBI ID CHEBI:136840
ChEBI ASCII Name pheophytin a(1-)
Definition A 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
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C55H73N4O5
Net Charge -1
Average Mass 870.194
Monoisotopic Mass 869.55865
InChI InChI=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
InChIKey LLVXKSZYOLYEIN-YYKPLYOQSA-N
SMILES C1=2NC(C=C3N=C(C=C4NC5=C(C6=NC(=C1)[C@H]([C@@H]6CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)C)[C-](C(C5=C4C)=O)C(=O)OC)C(=C3C)CC)=C(C2C)C=C
ChEBI Ontology
Outgoing 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 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
Synonym Source
pheophytin a UniProt
Last Modified
22 August 2017