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CHEBI:44608 - (4S)-4-(2-propylisonicotinoyl)nicotinamide adenine dinucleotide

Default Structure
ChEBI IDCHEBI:44608
ChEBI Name(4S)-4-(2-propylisonicotinoyl)nicotinamide adenine dinucleotide
Stars
ASCII Name(4S)-4-(2-propylisonicotinoyl)nicotinamide adenine dinucleotide
DefinitionA nicotinamide dinucleotide comprising NADH having an (S)-2-propylisonicotinoyl group at the 4-position on the dihydronicotinamide ring.
Last Modified18 March 2011
DownloadsMolfile
FormulaC30H38N8O15P2
Net Charge0
Average Mass812.623
Monoisotopic Mass812.19319
SMILESCCCc1cc(C(=O)[C@H]2C=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C=C2C(N)=O)ccn1
InChIInChI=1S/C30H38N8O15P2/c1-2-3-15-8-14(4-6-33-15)21(39)16-5-7-37(9-17(16)27(32)44)29-24(42)22(40)18(51-29)10-49-54(45,46)53-55(47,48)50-11-19-23(41)25(43)30(52-19)38-13-36-20-26(31)34-12-35-28(20)38/h4-9,12-13,16,18-19,22-25,29-30,40-43H,2-3,10-11H2,1H3,(H2,32,44)(H,45,46)(H,47,48)(H2,31,34,35)/t16-,18+,19+,22+,23+,24+,25+,29+,30+/m0/s1
InChIKeyINZZWAGIWIYXKO-NNTKUHMYSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S)-4-(2-propylisonicotinoyl)nicotinamide adenine dinucleotide (CHEBI:44608) has functional parent NADH (CHEBI:16908)
(4S)-4-(2-propylisonicotinoyl)nicotinamide adenine dinucleotide (CHEBI:44608) is a nicotinamide dinucleotide (CHEBI:37007)
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