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CHEBI:42499 - 6-(3-TETRADECANOIC ACID) FLAVINE MONONUCLEOTIDE

Default Structure
ChEBI IDCHEBI:42499
ChEBI Name6-(3-TETRADECANOIC ACID) FLAVINE MONONUCLEOTIDE
Stars
DownloadsMolfile
FormulaC31H47N4O11P
Net Charge0
Average Mass682.708
Monoisotopic Mass682.29789
SMILES[H]OC(=O)C([H])([H])[C@]([H])(c1c(C([H])([H])[H])c(C([H])([H])[H])c([H])c2c1nc1c(=O)n([H])c(=O)nc-1n2C([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])OP(=O)(O[H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C31H47N4O11P/c1-4-5-6-7-8-9-10-11-12-13-20(15-24(38)39)25-19(3)18(2)14-21-26(25)32-27-29(33-31(42)34-30(27)41)35(21)16-22(36)28(40)23(37)17-46-47(43,44)45/h14,20,22-23,28,36-37,40H,4-13,15-17H2,1-3H3,(H,38,39)(H,34,41,42)(H2,43,44,45)/t20-,22+,23-,28+/m1/s1
InChIKeyZMESPPGIOMLBCU-QPLRPWAESA-N
ChEBI Ontology
Outgoing Relation(s)
6-(3-TETRADECANOIC ACID) FLAVINE MONONUCLEOTIDE (CHEBI:42499) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-{6-[(1R)-1-(carboxymethyl)dodecyl]-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitolPDBeChem
6-(3-TETRADECANOIC ACID) FLAVINE MONONUCLEOTIDEPDBeChem
Manual XrefsDatabases
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