EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:83019 - (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate
| Formula | C12H19O4S |
| Net Charge | -1 |
| Average Mass | 259.347 |
| Monoisotopic Mass | 259.10095 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCOS(=O)(=O)[O-] |
| InChI | InChI=1S/C12H20O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-4,6-7,9-10H,2,5,8,11-12H2,1H3,(H,13,14,15)/p-1/b4-3-,7-6-,10-9- |
| InChIKey | MRKQZIXMEQPHNQ-PDBXOOCHSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Daphnia pulex (ncbitaxon:6669) | - | Article (Aliphatic sulfates released from Daphnia induce morphological defense of phytoplankton: isolation and synthesis of kairomonesKo Yasumoto, Akinori Nishigami, Mina Yasumoto, Fumie Kasai, Yasuhiro Okada, Takenori Kusumi and Takashi OoiaTetrahedron Letters 46 (2005) 4765-4767) |
| Roles Classification |
|---|
| Biological Roles: | Daphnia pulex metabolite A Daphnia metabolite produced by the species Daphnia pulex. kairomone A semiochemical used for inter-species chemical communication in a way that benefits an individual of another species that receives the chemical signal. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate (CHEBI:83019) has role Daphnia pulex metabolite (CHEBI:83075) |
| (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate (CHEBI:83019) has role kairomone (CHEBI:83074) |
| (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate (CHEBI:83019) is a organosulfate oxoanion (CHEBI:58958) |
| (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate (CHEBI:83019) is conjugate base of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate (CHEBI:83117) |
| Incoming Relation(s) |
| (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate (CHEBI:83117) is conjugate acid of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate (CHEBI:83019) |
| IUPAC Name |
|---|
| (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10014404 | Reaxys |