Arthrinic acid (CHEBI:204559)

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CHEBI:204559 - Arthrinic acid

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ChEBI ID	CHEBI:204559
ChEBI Name	Arthrinic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H54O9
Net Charge	0
Average Mass	582.775
Monoisotopic Mass	582.37678
SMILES	CCC(C)CC(C)/C=C(\C=C(/C)C(O)C(C)/C=C(\C)C(O)C/C=C/C(O)C/C=C/C(O)CC(O)C(O)C(=O)O)CO
InChI	InChI=1S/C32H54O9/c1-7-20(2)14-21(3)15-25(19-33)17-24(6)30(38)23(5)16-22(4)28(36)13-9-11-26(34)10-8-12-27(35)18-29(37)31(39)32(40)41/h8-9,11-12,15-17,20-21,23,26-31,33-39H,7,10,13-14,18-19H2,1-6H3,(H,40,41)/b11-9+,12-8+,22-16+,24-17+,25-15+
InChIKey	VTIWIBQZTPEOSH-ZQZRMASVSA-N

Species of Metabolite	Component	Source	Comments
Arthrinium phaeospermum (ncbitaxon:112178)	-	PubMed (18997391)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Arthrinic acid (CHEBI:204559) is a very long-chain fatty acid (CHEBI:27283)

IUPAC Name
(6E,10E,14E,18E,20E)-2,3,5,9,13,17-hexahydroxy-20-(hydroxymethyl)-14,16,18,22,24-pentamethylhexacosa-6,10,14,18,20-pentaenoic acid

Manual Xrefs	Databases
28285642	ChemSpider