loading...| Preferred Name |
bongkrekic acid |
| Synonyms |
(-)-bongkrekic acid (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid bongkrek acid (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioic acid |
| Definitions |
A tricarboxylic acid that is docosa-2,4,8,10,14,18,20-heptaenedioic acid substituted at positions 2 ,5 and 17 by methyl groups, at positions 6 by a methoxy group and at position 20 by a carboxymethyl group. It is produced by the bacterium Burkholderia gladioli and implicated in outbreaks of food-borne illness involving coconut and corn-based products in Indonesia and China. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_77742 |
| charge |
0 |
| database_cross_reference |
PMID:15919152 PMID:26548846 PMID:31517068 PMID:25786526 PMID:29155976 PMID:34019862 CAS:11076-19-0 PMID:24522192 PMID:33459584 PMID:22999884 PDBeChem:BKC PMID:34079526 PMID:23315986 CBA:366918 PMID:31642300 Patent:JP2005068064 PMID:27823840 PMID:17123460 PMID:33246684 PMID:12034471 PMID:31518860 PMID:31524538 Wikipedia:Bongkrek_acid PMID:22050912 PMID:7164105 PMID:28769000 PMID:27798877 Reaxys:1717902 PMID:22998163 PMID:28105575 PMID:16430940 Chemspider:4938689 PMID:26032198 PMID:20237660 PMID:30611538 PMID:26126659 PMID:2037079 |
| definition |
A tricarboxylic acid that is docosa-2,4,8,10,14,18,20-heptaenedioic acid substituted at positions 2 ,5 and 17 by methyl groups, at positions 6 by a methoxy group and at position 20 by a carboxymethyl group. It is produced by the bacterium Burkholderia gladioli and implicated in outbreaks of food-borne illness involving coconut and corn-based products in Indonesia and China. |
| formula |
C28H38O7 |
| has role |
http://purl.obolibrary.org/obo/CHEBI_27026 http://purl.obolibrary.org/obo/CHEBI_77750 http://purl.obolibrary.org/obo/CHEBI_76797 |
| has_exact_synonym |
(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
(-)-bongkrekic acid bongkrek acid (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioic acid |
| id |
CHEBI:77742 |
| in_subset | |
| inchi |
InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1 |
| inchikey |
SHCXABJSXUACKU-WUTQZGRKSA-N |
| is conjugate acid of | |
| label |
bongkrekic acid |
| mass |
486.605 |
| monoisotopicmass |
486.26175 |
| notation |
CHEBI:77742 |
| prefLabel |
bongkrekic acid |
| smiles |
CO[C@H](CC=C/C=C/CC\C=C\C[C@H](C)\C=C\C(\CC(O)=O)=C/C(O)=O)C(\C)=C/C=C(\C)C(O)=O |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_27093 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_27093 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/D001865 | Medical Subject Headings / 医学主题词表 | LOOM |