EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:140397 - 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(1−)
| Formula | C27H39N2O6S |
| Net Charge | -1 |
| Average Mass | 519.684 |
| Monoisotopic Mass | 519.25343 |
| SMILES | CC/C=C\C[C@@H](O)[C@H](C=CC=CC=CC/C=C\C/C=C\CCC(=O)[O-])SC[C@H]([NH3+])C(=O)NCC(=O)[O-] |
| InChI | InChI=1S/C27H40N2O6S/c1-2-3-14-17-23(30)24(36-21-22(28)27(35)29-20-26(33)34)18-15-12-10-8-6-4-5-7-9-11-13-16-19-25(31)32/h3,5-8,10-15,18,22-24,30H,2,4,9,16-17,19-21,28H2,1H3,(H,29,35)(H,31,32)(H,33,34)/p-1/b7-5-,8-6?,12-10?,13-11-,14-3-,18-15?/t22-,23+,24-/m0/s1 |
| InChIKey | WUKLNYKELYBPSU-XFTLILIKSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(1−) (CHEBI:140397) is a dicarboxylic acid monoanion (CHEBI:35695) |
| 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(1−) (CHEBI:140397) is a docosanoid anion (CHEBI:131864) |
| 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(1−) (CHEBI:140397) is a peptide anion (CHEBI:60334) |
| 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(1−) (CHEBI:140397) is conjugate base of 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid (CHEBI:140263) |
| Incoming Relation(s) |
| 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid (CHEBI:140263) is conjugate acid of 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(1−) (CHEBI:140397) |
| IUPAC Name |
|---|
| (4Z,7Z,16S,17R,19Z)-16-({(2R)-2-azaniumyl-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-17-hydroxydocosa-4,7,10,12,14,19-hexaenoate |
| Synonyms | Source |
|---|---|
| PCTR2(1−) | ChEBI |
| 16-cysteinylglycinyl,17-hydroxy-4Z,7Z,10,12,14,19Z-docosahexaenoate(1−) | ChEBI |
| protectin conjugate in tissue regeneration 2(1−) | ChEBI |