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CHEBI:61721 - chlorophyll b(1−)

ChEBI IDCHEBI:61721
ChEBI Namechlorophyll b(1−)
Stars
ASCII Namechlorophyll b(1-)
DefinitionThe cyclic tetrapyrrole anion that is chlorophyll b protonated to pH 7.3.
Last Modified26 July 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC55H69MgN4O6
Net Charge-1
Average Mass906.484
Monoisotopic Mass905.50730
SMILESC=Cc1c(C)c2[n]3c1=CC1=[N+]4C(=Cc5c(C)c6c7[n]5[Mg-2]34[N+]3=C(C=2)[C@@H](C)[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C3=C7[C-](C(=O)OC)C6=O)C(CC)=C1C=O
InChIInChI=1S/C55H70N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-2;+2/p-1/b34-25+;/t32-,33-,36+,40+;/m1./s1
InChIKeyWMNTZEAJBUMETR-YKKLGNEQSA-M
Roles Classification
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
chlorophyll b(1−) (CHEBI:61721) has role cofactor (CHEBI:23357)
chlorophyll b(1−) (CHEBI:61721) is a chlorophyll(1−) (CHEBI:139291)
chlorophyll b(1−) (CHEBI:61721) is a cyclic tetrapyrrole anion (CHEBI:58941)
chlorophyll b(1−) (CHEBI:61721) is a dicarboxylic acid dianion (CHEBI:28965)
chlorophyll b(1−) (CHEBI:61721) is conjugate base of chlorophyll b (CHEBI:27888)
Incoming Relation(s)
chlorophyll b (CHEBI:27888) is conjugate acid of chlorophyll b(1−) (CHEBI:61721)
IUPAC Name 
[methyl (3S,4S)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylatato(3−)-κN23,κ4N24,κN25,κN26]magnesate(1−)
UniProt Name  Source
chlorophyll bUniProt