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CHEBI:74057 - (13E)-16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4
| Formula | C19H27NO7S |
| Net Charge | 0 |
| Average Mass | 413.492 |
| Monoisotopic Mass | 413.15082 |
| SMILES | N[C@@H](CS[C@H](/C=C/C=C/C=C\C=C\CC(=O)O)[C@@H](O)CCCC(=O)O)C(=O)O |
| InChI | InChI=1S/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,7-5+,10-6+/t14-,15-,16+/m0/s1 |
| InChIKey | MAFGRSDWXFSHMK-SJPGQPHYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (13E)-16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74057) is a 16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016) |
| IUPAC Names |
|---|
| (3E,5Z,7E,9E,11R,12S)-11-(L-cystein-S-yl)-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid |
| (3E,5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid |
| Synonyms | Source |
|---|---|
| (13E)-16-carboxy-Δ13-tetranor-LTE4 | ChEBI |
| (13E)-16-carboxy-Δ13-17,18,19,20-tetranor-LTE4 | ChEBI |
| (13E)-16-carboxy-Δ13-17,18,19,20-tetranor-LTE4 | ChEBI |
| 13E-tetranor-16-carboxy-LTE4 | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0012575 | HMDB |