2-demethylmenaquinol-12 (CHEBI:84551)

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CHEBI:84551 - 2-demethylmenaquinol-12

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ChEBI ID	CHEBI:84551
ChEBI Name	2-demethylmenaquinol-12
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Definition	A 2-demethylmenaquinol whose structure comprises a benzohydroquinone nucleus and a side chain of twelve isoprenoid units.
Last Modified	28 January 2015
Submitter	Anne Morgat
Downloads	Molfile

Formula	C70H104O2
Net Charge	0
Average Mass	977.600
Monoisotopic Mass	976.80363
SMILES	CC(C)=CCC/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/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)c2ccccc2c1O
InChI	InChI=1S/C70H104O2/c1-54(2)27-16-28-55(3)29-17-30-56(4)31-18-32-57(5)33-19-34-58(6)35-20-36-59(7)37-21-38-60(8)39-22-40-61(9)41-23-42-62(10)43-24-44-63(11)45-25-46-64(12)47-26-48-65(13)51-52-66-53-69(71)67-49-14-15-50-68(67)70(66)72/h14-15,27,29,31,33,35,37,39,41,43,45,47,49-51,53,71-72H,16-26,28,30,32,34,36,38,40,42,44,46,48,52H2,1-13H3/b55-29+,56-31+,57-33+,58-35+,59-37+,60-39+,61-41+,62-43+,63-45+,64-47+,65-51+
InChIKey	NKCMHMXWLADGOV-RVHIBIGXSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-demethylmenaquinol-12 (CHEBI:84551) is a 2-demethylmenaquinol (CHEBI:55437)

IUPAC Name
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-yl]naphthalene-1,4-diol

Synonyms	Source
DMKH2-12	MetaCyc
demethylmenaquinol-12	MetaCyc

UniProt Name	Source
2-demethylmenaquinol-12	UniProt

Manual Xrefs	Databases
CPD-12121	MetaCyc

Citations