Roimatacene (CHEBI:213957)

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CHEBI:213957 - Roimatacene

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ChEBI ID	CHEBI:213957
ChEBI Name	Roimatacene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H44O7
Net Charge	0
Average Mass	516.675
Monoisotopic Mass	516.30870
SMILES	CC/C=C/C=C/C=C(\C)C(O)CC(O)C(C)(O)C(O)C/C=C/C=C/C=C(C)/C=C/C(O)C/C=C/C(=O)O
InChI	InChI=1S/C30H44O7/c1-5-6-7-8-12-16-24(3)26(32)22-28(34)30(4,37)27(33)18-13-10-9-11-15-23(2)20-21-25(31)17-14-19-29(35)36/h6-16,19-21,25-28,31-34,37H,5,17-18,22H2,1-4H3,(H,35,36)/b7-6+,11-9+,12-8+,13-10+,19-14+,21-20+,23-15+,24-16+
InChIKey	QDCPCPBYFNXINO-RQFZCCHVSA-N

Species of Metabolite	Component	Source	Comments
Cystobacter ferrugineus (ncbitaxon:83449)	-	PubMed (21618624)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Roimatacene (CHEBI:213957) is a very long-chain fatty acid (CHEBI:27283)

IUPAC Name
(2E,6E,8E,10E,12E,20E,22E,24E)-5,15,16,17,19-pentahydroxy-8,16,20-trimethylheptacosa-2,6,8,10,12,20,22,24-octaenoic acid

Manual Xrefs	Databases
78444857	ChemSpider