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N(6)-(dimethylallyl)adenosine 5'-diphosphate

PropertiesImage
MNX_IDMNXM2845 Image of MNXM2845
referencechebi:73533
formulaC15H20N5O10P2
global charge-3
mol weight492.298
InChIKeyVXMXKDAHJURHEN-SDBHATRESA-K
InChIInChI=1S/C15H23N5O10P2/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(29-15)5-28-32(26,27)30-31(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,26,27)(H,16,17,18)(H2,23,24,25)/p-3/t9-,11-,12-,15-/m1/s1
SMILESCC(C)=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C15H23N5O10P2/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(29-15)5-28-32(26,27)30-31(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,26,27)(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1 Image of MNXM2845
SMILES (mnx)[CH3:1][C:8]([CH3:2])=[CH:3][CH2:4][NH:16][C:13]1=[C:10]2[C:14](=[N:18][CH:6]=[N:17]1)[N:20]([C@H:15]1[C@H:12]([OH:22])[C@H:11]([OH:21])[C@@H:9]([CH2:5][O:28][P:32]([OH:26])(=[O:27])[O:30][P:31]([OH:23])([OH:24])=[O:25])[O:29]1)[CH:7]=[N:19]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:73533
chebi:73533
VXMXKDAHJURHEN-SDBHATRESA-K 		N(6)-(dimethylallyl)adenosine 5'-diphosphate
N(6)-(dimethylallyl)adenosine 5'-diphosphate(3-)
N(6)-isopentenyladenosine 5'-diphosphate(3-)
N-(3-methylbut-2-en-1-yl)-5'-O-[(phosphonatooxy)phosphinato]adenosine
isopentenyl-ADP(3-)
isopentenyladenosine riboside-5'-diphosphate(3-)
isopentenyladenosine-5'-diphosphate(3-)

seed.compound:cpd15131
seedM:cpd15131
VXMXKDAHJURHEN-SDBHATRESA-L 		Isopentenyl-ADP
Isopentenyladenosine-5'-diphosphate
Isopnetenyladenosine-5'-diphosphate
N6-(Dimethylallyl)adenosine 5'-diphosphate
N6-(delta2-isopentenyl)-adenosine 5'-diphosphate
iPDP
iPRDP
isopentenyladenosine riboside-5'-diphosphate
isopentenyladenosine-5'-diphosphate

kegg.compound:C16426
keggC:C16426
VXMXKDAHJURHEN-SDBHATRESA-N 		Isopentenyladenosine-5'-diphosphate
Isopentenyl-ADP
N6-(Dimethylallyl)adenosine 5'-diphosphate
N6-Prenyladenosine 5'-diphosphate

vmhM:ipadsn5dp
vmhmetabolite:ipadsn5dp
VXMXKDAHJURHEN-SDBHATRESA-K 		Isopnetenyladenosine-5-diphosphate

CHEBI:71678
chebi:71678
VXMXKDAHJURHEN-SDBHATRESA-N 		N(6)-(dimethylallyl)adenosine 5'-diphosphate
Isopentenyl-ADP
Isopentenyladenosine-5'-diphosphate
N(6)-(Delta(2)-isopentenyl)adenosine 5'-diphosphate
N(6)-isopentenyladenosine 5'-diphosphate
N-(3-methylbut-2-en-1-yl)adenosine 5'-(trihydrogen diphosphate)
isopentenyladenosine riboside-5'-diphosphate
isopentenyladenosine-5'-diphosphate

metacyc.compound:CPD-4203
metacycM:CPD-4203
VXMXKDAHJURHEN-SDBHATRESA-K 		N6-(Delta2-isopentenyl)-adenosine 5'-diphosphate
iPDP
iPRDP
isopentenyladenosine riboside-5'-diphosphate
isopentenyladenosine-5'-diphosphate

sabiork.compound:22756
sabiorkM:22756
VXMXKDAHJURHEN-SDBHATRESA-K 		N6-(delta2-Isopentenyl)-adenosine 5'-diphosphate
hmdb:HMDB0304432
VXMXKDAHJURHEN-SDBHATRESA-K 		N6-(delta2-isopentenyl)-adenosine 5'-diphosphate
({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxolan-2-yl]methyl phosphonato}oxy)phosphonate
Isopentenyl-ADP(3-)
Isopentenyladenosine riboside-5'-diphosphate(3-)
Isopentenyladenosine riboside-5'-diphosphoric acid(3-)
Isopentenyladenosine-5'-diphosphate(3-)
Isopentenyladenosine-5'-diphosphoric acid(3-)
N(6)-(Dimethylallyl)adenosine 5'-diphosphate
N(6)-(Dimethylallyl)adenosine 5'-diphosphoric acid
N(6)-(Dimethylallyl)adenosine 5'-diphosphoric acid(3-)
N(6)-Isopentenyladenosine 5'-diphosphate(3-)
N(6)-Isopentenyladenosine 5'-diphosphoric acid(3-)
N6-(delta2-isopentenyl)-adenosine 5'-diphosphoric acid
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-{6-[(3-methylbut-2-en-1-yl)amino]purin-9-yl}oxolan-2-yl]methyl phosphonato}oxyphosphonate

keggC:M_C16426
seedM:M_cpd15131
vmhM:M_ipadsn5dp 		secondary/obsolete/fantasy identifier