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CHEBI:77211 - (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate

Default Structure
ChEBI IDCHEBI:77211
ChEBI Name(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate
Stars
ASCII Name(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified30 January 2019
Submitterlaimo
DownloadsMolfile
FormulaC30H47O2
Net Charge-1
Average Mass439.704
Monoisotopic Mass439.35815
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C30H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-29H2,1H3,(H,31,32)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyBKFMERKCQDCYIE-KUBAVDMBSA-M
ChEBI Ontology
Outgoing Relation(s)
(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate (CHEBI:77211) is a triacontahexaenoate (CHEBI:78080)
(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate (CHEBI:77211) is conjugate base of (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid (CHEBI:77377)
Incoming Relation(s)
(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid (CHEBI:77377) is conjugate acid of (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate (CHEBI:77211)
IUPAC Name 
(12Z,15Z,18Z,21Z,24Z,27Z)-triaconta-12,15,18,21,24,27-hexaenoate
Synonyms  Source
C30:6(ω-3)(1−)SUBMITTER
all-cis-triaconta-12,15,18,21,24,27-hexaenoateChEBI
UniProt Name  Source
(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoateUniProt