(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid (CHEBI:77377)

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CHEBI:77377 - (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid

ChEBI ID	CHEBI:77377
ChEBI Name	(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid
Stars
ASCII Name	(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid
Definition	A very long-chain ω−3 fatty acid that is triacontahexaenoic acid having six double bonds located at positions 12, 15, 18, 21, 24 and 27 (the 12Z,15Z,18Z,21Z,24Z,27Z-isomer).
Last Modified	20 June 2014
Submitter	Steve
Downloads	Molfile

Formula	C30H48O2
Net Charge	0
Average Mass	440.712
Monoisotopic Mass	440.36543
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O
InChI	InChI=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)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey	BKFMERKCQDCYIE-KUBAVDMBSA-N

Roles Classification

Chemical Roles:

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

Biological Roles:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid (CHEBI:77377) is a triacontahexaenoic acid (CHEBI:78917)
	(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid (CHEBI:77377) is a ω−3 fatty acid (CHEBI:25681)
	(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid (CHEBI:77377) is conjugate acid of (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate (CHEBI:77211)
Incoming Relation(s)
	(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA (CHEBI:74593) has functional parent (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid (CHEBI:77377)
	(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate (CHEBI:77211) is conjugate base of (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid (CHEBI:77377)

IUPAC Name
(12Z,15Z,18Z,21Z,24Z,27Z)-triaconta-12,15,18,21,24,27-hexaenoic acid

Synonyms	Source
12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid	LIPID MAPS
30:6(12Z,15Z,18Z,21Z,24Z,27Z)	LIPID MAPS
30:6n3	LIPID MAPS
30:6(ω3)	LIPID MAPS
all-cis-triaconta-12,15,18,21,24,27-hexaenoic acid	ChEBI

Manual Xrefs	Databases
LMFA01030840	LIPID MAPS