EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:169858 - Heptacarboxylporphyrin III
| Formula | C40H40N4O14 |
| Net Charge | 0 |
| Average Mass | 800.774 |
| Monoisotopic Mass | 800.25410 |
| SMILES | CC1=C(CCC(=O)O)c2cc3nc(cc4nc(cc5nc(cc1n2)c(CCC(=O)O)c5CCC(=O)O)c(CCC(=O)O)c4CC(=O)O)C(CCC(=O)O)=C3CC(=O)O |
| InChI | InChI=1S/C40H40N4O14/c1-18-19(2-7-34(45)46)27-15-32-24(12-39(55)56)23(6-11-38(53)54)31(44-32)17-33-25(13-40(57)58)22(5-10-37(51)52)30(43-33)16-29-21(4-9-36(49)50)20(3-8-35(47)48)28(42-29)14-26(18)41-27/h14-17,42-43H,2-13H2,1H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/b26-14-,27-15-,28-14-,29-16-,30-16-,31-17-,32-15-,33-17- |
| InChIKey | UTOFNNOCKXWGRW-FLBNTIIFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| 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) |
| Heptacarboxylporphyrin III (CHEBI:169858) is a porphyrins (CHEBI:26214) |
| IUPAC Name |
|---|
| 3-[7,8,12,17-tetrakis(2-carboxyethyl)-13,18-bis(carboxymethyl)-3-methyl-22,23-dihydroporphyrin-2-yl]propanoic acid |