geranylgeranyl bacteriochlorophyllide a (CHEBI:91131)

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CHEBI:91131 - geranylgeranyl bacteriochlorophyllide a

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ChEBI ID	CHEBI:91131
ChEBI Name	geranylgeranyl bacteriochlorophyllide a
Stars
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.
Last Modified	9 February 2016
Submitter	Steve
Downloads	Molfile

Formula	C55H68MgN4O6
Net Charge	0
Average Mass	905.476
Monoisotopic Mass	904.49893
SMILES	CC[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@@H](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
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

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)
	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 Xrefs	Databases
CPD-9088	MetaCyc

Registry Numbers	Sources
Reaxys:9250438	Reaxys