3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790)

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CHEBI:62790 - 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid

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ChEBI ID	CHEBI:62790
ChEBI Name	3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid
Stars
Definition	A monohydroxybenzoic acid that is 4-hydroxybenzoic acid in which the hydrogens at positions 3 and 5 are substituted by a methoxy and a nonaprenyl group.
Last Modified	23 August 2011
Submitter	Gareth Owen
Downloads	Molfile

Formula	C53H80O4
Net Charge	0
Average Mass	781.219
Monoisotopic Mass	780.60566
SMILES	COc1cc(C(=O)O)cc(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O
InChI	InChI=1S/C53H80O4/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-49-38-50(53(55)56)39-51(57-11)52(49)54/h20,22,24,26,28,30,32,34,36,38-39,54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3,(H,55,56)/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+
InChIKey	FDPPBYXDOXRDHA-JSGWLJPKSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) has functional parent 3-nonaprenyl-4,5-dihydroxybenzoic acid (CHEBI:62788)
	3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) is a methoxybenzoic acid (CHEBI:25238)
	3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) is a monohydroxybenzoic acid (CHEBI:25389)
	3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) is a phenols (CHEBI:33853)
	3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) is conjugate acid of 3-nonaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:62791)
Incoming Relation(s)
Incoming Relation(s)	3-nonaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:62791) is conjugate base of 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790)

IUPAC Name
4-hydroxy-3-methoxy-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzoic acid

Synonyms	Source
4-hydroxy-3-methoxy-5-nonaprenylbenzoic acid	ChEBI
all-trans-4-hydroxy-3-methoxy-5-nonaprenylbenzoic acid	ChEBI
all-trans-3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid	ChEBI
3-(3,7,11,15,19,23-nonamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid	MetaCyc

Manual Xrefs	Databases
CPD-9898	MetaCyc