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CHEBI:44898 - pheophytin a
| Formula | C55H74N4O5 |
| Net Charge | 0 |
| Average Mass | 871.220 |
| Monoisotopic Mass | 870.56592 |
| SMILES | C=Cc1c(C)c2cc3nc(c4c5nc(cc6nc(cc1n2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C |
| InChI | InChI=1S/C55H74N4O5/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/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1 |
| InChIKey | CQIKWXUXPNUNDV-RCBXBCQGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pheophytin a (CHEBI:44898) is a pheophytin (CHEBI:8108) |
| pheophytin a (CHEBI:44898) is conjugate acid of pheophytin a(1−) (CHEBI:136840) |
| Incoming Relation(s) |
| pheophytin a(1−) (CHEBI:136840) is conjugate base of pheophytin a (CHEBI:44898) |
| Synonyms | Source |
|---|---|
| pheophytin a | JCBN |
| methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9-vinylphorbine-21-carboxylate | IUPAC |
| PHEOPHYTIN A | PDBeChem |
| Phäophytin-a | ChEBI |