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CHEBI:73115 - divinyl chlorophyll b

ChEBI IDCHEBI:73115
ChEBI Namedivinyl chlorophyll b
Stars
ASCII Namedivinyl chlorophyll b
DefinitionA carboxylic ester obtained by formal condensation of the carboxy group of divinyl chlorophyll b with the hydroxy group of (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol.
Last Modified26 July 2019
SubmitterSteve
DownloadsMolfile
FormulaC55H68MgN4O6
Net Charge0
Average Mass905.476
Monoisotopic Mass904.49893
SMILESC=CC1=C(C=O)C2=[N+]3C1=Cc1c(C)c4c5[n]1[Mg-2]31[n]3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C5[C@@H](C(=O)OC)C4=O)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]2C
InChIInChI=1S/C55H69N4O6.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;/h12-13,25,27-33,36,40,51H,1-2,14-24,26H2,3-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1
InChIKeyNGKPZYGLFKXZKI-VBYMZDBQSA-M
Roles Classification
Biological Roles:
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).
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)
divinyl chlorophyll b (CHEBI:73115) has role cofactor (CHEBI:23357)
divinyl chlorophyll b (CHEBI:73115) is a chlorophyll (CHEBI:28966)
divinyl chlorophyll b (CHEBI:73115) is a methyl ester (CHEBI:25248)
divinyl chlorophyll b (CHEBI:73115) is conjugate acid of divinyl chlorophyll b(1−) (CHEBI:73096)
Incoming Relation(s)
divinyl chlorophyll b(1−) (CHEBI:73096) is conjugate base of divinyl chlorophyll b (CHEBI:73115)
IUPAC Name 
[methyl (3S,4S,21R)-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)-9,14-divinylphorbine-21-carboxylatato(2−)-κ4N23,N24,N25,N26]magnesium
Citations