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CHEBI:18230 - chlorophyll a
| Formula | C55H72MgN4O5 |
| Net Charge | 0 |
| Average Mass | 893.509 |
| Monoisotopic Mass | 892.53531 |
| SMILES | C=Cc1c(C)c2[n]3c1C=C1C(C)=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/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1 |
| InChIKey | ATNHDLDRLWWWCB-AENOIHSZSA-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) |
| chlorophyll a (CHEBI:18230) has functional parent chlorophyllide a (CHEBI:16900) |
| chlorophyll a (CHEBI:18230) has role cofactor (CHEBI:23357) |
| chlorophyll a (CHEBI:18230) is a chlorophyll (CHEBI:28966) |
| chlorophyll a (CHEBI:18230) is a methyl ester (CHEBI:25248) |
| chlorophyll a (CHEBI:18230) is conjugate acid of chlorophyll a(1−) (CHEBI:58416) |
| Incoming Relation(s) |
| 71-hydroxychlorophyll a (CHEBI:76032) has functional parent chlorophyll a (CHEBI:18230) |
| chlorophyll a(1−) (CHEBI:58416) is conjugate base of chlorophyll a (CHEBI:18230) |
| IUPAC Name |
|---|
| [(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl (22R,17S,18S)-7-ethyl-21,22,17,18-tetrahydro-22-(methoxycarbonyl)-3,8,13,17-tetramethyl-21-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoato(2−)]magnesium |
| Synonyms | Source |
|---|---|
| Chlorophyll | ChemIDplus |
| Chlorophyll a | KEGG COMPOUND |
| CHLOROPHYLL A | PDBeChem |
| (SP-4-2)-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2−)-κN23,κN24,κN25,κN26)-magnesium | ChemIDplus |