Search MNXref
 Feedback

ADP-5-ethyl-4-methylthiazole-2-carboxylate

PropertiesImage
MNX_IDMNXM722955 Image of MNXM722955
referencechebi:139151
formulaC17H19N6O12P2S
global charge-3
mol weight593.384
InChIKeyVGXBGQACJQRWLV-LKGUXBDMSA-K
InChIInChI=1S/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/p-3/t8-,11-,12-,16-/m1/s1
SMILESCC1=C(CCOP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)SC(C(=O)[O-])=N1
MNX internals
InChI (mnx)InChI=1/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/t8-,11-,12-,16-/m1/s1 Image of MNXM722955
SMILES (mnx)[CH3:1][C:7]1=[C:9]([CH2:2][CH2:3][O:32][P:36]([OH:28])(=[O:29])[O:35][P:37]([OH:30])(=[O:31])[O:33][CH2:4][C@@H:8]2[C@@H:11]([OH:24])[C@@H:12]([OH:25])[C@H:16]([N:23]3[CH:6]=[N:21][C:10]4=[C:13]([NH2:18])[N:19]=[CH:5][N:20]=[C:14]43)[O:34]2)[S:38][C:15]([C:17]([OH:26])=[O:27])=[N:22]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:139151
chebi:139151
VGXBGQACJQRWLV-LKGUXBDMSA-K 		ADP-5-ethyl-4-methylthiazole-2-carboxylate
ADP-5-ethyl-4-methylthiazole-2-carboxylate(3-)

seed.compound:cpd26630
seedM:cpd26630
VGXBGQACJQRWLV-LKGUXBDMSA-K 		2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole
ADP-5-ethyl-4-methylthiazole-2-carboxylate
AHZ
Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid
adenosine diphosphate 5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic acid
adenylated thiazole

metacyc.compound:CPDQT-400
metacycM:CPDQT-400
VGXBGQACJQRWLV-LKGUXBDMSA-K 		ADP-5-ethyl-4-methylthiazole-2-carboxylate
2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole
ADT
AHZ
adenosine diphosphate 5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic acid
adenylated thiazole
cHET-ADP

kegg.compound:C20784
keggC:C20784
VGXBGQACJQRWLV-LKGUXBDMSA-N 		ADP-5-ethyl-4-methylthiazole-2-carboxylate
Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid

CHEBI:134399
chebi:134399
VGXBGQACJQRWLV-LKGUXBDMSA-N 		ADP-5-ethyl-4-methylthiazole-2-carboxylic acid
5'-O-[({[2-(2-carboxy-4-methyl-1,3-thiazol-5-yl)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine
Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid

chebi:40688
keggC:M_C20784
seedM:M_cpd26630 		secondary/obsolete/fantasy identifier