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CHEBI:76032 - 71-hydroxychlorophyll a
| Formula | C55H72MgN4O6 |
| Net Charge | 0 |
| Average Mass | 909.508 |
| Monoisotopic Mass | 908.53023 |
| SMILES | C=Cc1c(C)c2[n]3c1C=C1C(CO)=C(CC)C4=[N+]1[Mg-2]31[n]3c(c(C)c5c3=C(C3=[N+]1C(=C2)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H](C(=O)OC)C5=O)=C4 |
| 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 |
| 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) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| 7-Hydroxymethylchlorophyll a | KEGG COMPOUND |
| 7(1)-Hydroxychlorophyll a | KEGG COMPOUND |