CHEBI:76032 - 71-hydroxychlorophyll a

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ChEBI Name 71-hydroxychlorophyll a
ChEBI ID CHEBI:76032
ChEBI ASCII Name 7(1)-hydroxychlorophyll a
Definition A member of the class of chlorophyll that is chlorophyll a substituted at position 71 by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information ChemicalBook:CB7399440, eMolecules:484241, ZINC000000084153
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Formula C55H72MgN4O6
Net Charge 0
Average Mass 909.48840
Monoisotopic Mass 908.53023
InChI InChI=1S/C55H73N4O6.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;/h12,25,27-29,31-33,36,40,51,60H,1,13-24,26,30H2,2-11H3,(H-,56,57,58,59,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1
InChIKey QGHLDVDZKNSEFX-VBYMZDBQSA-M
SMILES CCC1=C(CO)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31
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 71-hydroxychlorophyll a (CHEBI:76032) has functional parent chlorophyll a (CHEBI:18230)
71-hydroxychlorophyll a (CHEBI:76032) is a chlorophyll (CHEBI:28966)
71-hydroxychlorophyll a (CHEBI:76032) is a methyl ester (CHEBI:25248)
71-hydroxychlorophyll a (CHEBI:76032) is conjugate acid of 71-hydroxychlorophyll a(1−) (CHEBI:83377)
Incoming 71-hydroxychlorophyll a(1−) (CHEBI:83377) is conjugate base of 71-hydroxychlorophyll a (CHEBI:76032)
IUPAC Name
[methyl (3S,4S,21R)-14-ethyl-13-(hydroxymethyl)-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-vinylphorbine-21-carboxylatato(2-)-κ4N23,N24,N25,N26]magnesium
Synonyms Sources
7(1)-Hydroxychlorophyll a KEGG COMPOUND
7-Hydroxymethylchlorophyll a KEGG COMPOUND
Manual Xrefs Databases
C18151 KEGG COMPOUND
CPD-7016 MetaCyc
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Last Modified
03 March 2015