EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C55H72N4O5 |
| Net Charge | 0 |
| Average Mass | 869.204 |
| Monoisotopic Mass | 868.55027 |
| SMILES | [H]/C1=C2/N=C(C(C)=C2C=C)/C([H])=c2\n/c(c(CCC(=O)OC/C([H])=C(\C)CCCC(C)CCCC(C)CCCC(C)C)c2C)=C2\C3=NC(=C(C)C3=C(O)C2C(=O)OC)/C([H])=C2\N=C1C(C)=C2CC |
| InChI | InChI=1S/C55H72N4O5/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/h13,26,28-33,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28-,46-29-,47-30-,52-50- |
| InChIKey | WNFYKCCPDMVWRU-PTNBIZNXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| protochlorophyll a (CHEBI:136804) is a tetrapyrrole (CHEBI:26932) |