CHEBI:91131 - geranylgeranyl bacteriochlorophyllide a

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ChEBI Name geranylgeranyl bacteriochlorophyllide a
ChEBI ID CHEBI:91131
ChEBI ASCII Name geranylgeranyl bacteriochlorophyllide a
Definition A chlorophyll that is the ester obtained by formal condensation between the carboxy group of bacteriochlorophyllide a and the hydroxy group of geranylgeraniol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C55H68MgN4O6
Net Charge 0
Average Mass 905.459
Monoisotopic Mass 904.49893
InChI InChI=1S/C55H69N4O6.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;/h17,19,21,25,27-29,34-35,39-40,51H,13-16,18,20,22-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b31-19+,32-21+,33-25+;/t34-,35+,39-,40+,51-;/m1./s1
InChIKey HBYYRBWSVSZZHE-FVVSHTJESA-M
SMILES C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(OC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C
Roles Classification
Biological Role(s): 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).
(via porphyrins )
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ChEBI Ontology
Outgoing geranylgeranyl bacteriochlorophyllide a (CHEBI:91131) has functional parent (E,E,E)-geranylgeraniol (CHEBI:46762)
geranylgeranyl bacteriochlorophyllide a (CHEBI:91131) has functional parent bacteriochlorophyllide a (CHEBI:81546)
geranylgeranyl bacteriochlorophyllide a (CHEBI:91131) is a carboxylic ester (CHEBI:33308)
geranylgeranyl bacteriochlorophyllide a (CHEBI:91131) is a chlorophyll (CHEBI:28966)
IUPAC Name
[methyl (3S,4S,13R,14R,21R)-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(2−)-κ4N23,N24,N25,N26]magnesium
Synonym Source
geranylgeranyl-bacteriochlorophyll a MetaCyc
Manual Xref Database
CPD-9088 MetaCyc
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Registry Number Type Source
9250438 Reaxys Registry Number Reaxys
Last Modified
09 February 2016