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CHEBI:90849 - geranylgeranyl bacteriochlorophyllide a(1−)

ChEBI IDCHEBI:90849
ChEBI Namegeranylgeranyl bacteriochlorophyllide a(1−)
Stars
ASCII Namegeranylgeranyl bacteriochlorophyllide a(1-)
DefinitionA cyclic tetrapyrrole anion that is that carbide ion obtained from geranylgeranyl bacteriochlorophyllide a via removal of the acidic proton at position 21. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified9 February 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC55H67MgN4O6
Net Charge-1
Average Mass904.468
Monoisotopic Mass903.49165
SMILESCC[C@H]1C2=Cc3c(C)c4c5[n]3[Mg-2]36[n]7c(c(C)c(C(C)=O)c7=CC(=[N+]23)[C@@H]1C)=CC1=[N+]6C(=C5[C-](C(=O)OC)C4=O)[C@@H](CCC(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H]1C
InChIInChI=1S/C55H68N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h17,19,21,25,27-29,34-35,39-40H,13-16,18,20,22-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-2;+2/p-1/b31-19+,32-21+,33-25+;/t34-,35+,39-,40+;/m1./s1
InChIKeySLHJCOLVGKWTAP-KHPXXVTNSA-M
ChEBI Ontology
Outgoing Relation(s)
geranylgeranyl bacteriochlorophyllide a(1−) (CHEBI:90849) has functional parent bacteriochlorophyllide a(2−) (CHEBI:90795)
geranylgeranyl bacteriochlorophyllide a(1−) (CHEBI:90849) is a cyclic tetrapyrrole anion (CHEBI:58941)
IUPAC Name 
[methyl (3S,4S,13R,14R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylatato(3-)-κ4N23,N24,N25,N26]magnesate(1−)
UniProt Name  Source
geranylgeranyl-bacteriochlorophyllide aUniProt
Manual XrefsDatabases
CPD-9088MetaCyc
Citations