CHEBI:183163 - demethylmenaquinone-7

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name demethylmenaquinone-7
ChEBI ID CHEBI:183163
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H62O2
Net Charge 0
Average Mass 634.989
Monoisotopic Mass 634.47498
InChI InChI=1S/C45H62O2/c1-34(2)17-11-18-35(3)19-12-20-36(4)21-13-22-37(5)23-14-24-38(6)25-15-26-39(7)27-16-28-40(8)31-32-41-33-44(46)42-29-9-10-30-43(42)45(41)47/h9-10,17,19,21,23,25,27,29-31,33H,11-16,18,20,22,24,26,28,32H2,1-8H3/b35-19+,36-21+,37-23+,38-25+,39-27+,40-31+
InChIKey GJIGVPBRJFOUGD-SSQLMYNASA-N
SMILES O=C1C(C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC/C=C(/CCC=C(C)C)\C)/C)/C)/C)/C)/C)=CC(=O)C=2C1=CC=CC2
Metabolite of Species Details
Trypanosoma brucei (NCBI:txid5691) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing demethylmenaquinone-7 (CHEBI:183163) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name
2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]naphthalene-1,4-dione
Manual Xref Database
58837998 ChemSpider
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