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3'-dehydro-ATP

MNXM164185 is deprecated and replaced by MNXM4978
PropertiesImage
MNX_IDMNXM4978 Image of MNXM4978
referencechebi:27782
formulaC10H14N5O13P3
global charge0
mol weight505.166
InChIKeyDWVQEFBZTUVQKH-XMRAEQSQSA-N
InChIInChI=1S/C10H14N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,7,10,17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,7-,10-/m1/s1
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(=O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C10H14N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,7,10,17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,7-,10-/m1/s1 Image of MNXM4978
SMILES (mnx)[CH2:1]([C@@H:4]1[C:6](=[O:16])[C@@H:7]([OH:17])[C@H:10]([N:15]2[CH:3]=[N:14][C:5]3=[C:8]([NH2:11])[N:12]=[CH:2][N:13]=[C:9]32)[O:26]1)[O:25][P:30]([OH:21])(=[O:22])[O:28][P:31]([OH:23])(=[O:24])[O:27][P:29]([OH:18])([OH:19])=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27782
chebi:27782
DWVQEFBZTUVQKH-XMRAEQSQSA-N 		3'-dehydro-ATP
3'-Keto-3'-deoxy-ATP
3'-dehydro-adenosine 5'-triphosphate
3'-keto-ATP
9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl-3-ulose]-9H-purin-6-amine

kegg.compound:C07024
keggC:C07024
DWVQEFBZTUVQKH-XMRAEQSQSA-N 		3'-Keto-3'-deoxy-ATP

seed.compound:cpd04322
seedM:cpd04322
DWVQEFBZTUVQKH-XMRAEQSQSA-K 		3'-Keto-3'-deoxy-ATP
3'-keto-3'-dehydroATP
3'-keto-3'-deoxy-ATP
3'-keto-3'-deoxyATP

metacyc.compound:CPD-10076
metacycM:CPD-10076
DWVQEFBZTUVQKH-XMRAEQSQSA-J 		3'-dehydro-ATP
3'-keto-3'-deoxyATP

envipath:...ea3c3cc9bd19
envipathM:...ea3c3cc9bd19
DWVQEFBZTUVQKH-XMRAEQSQSA-K 		compound 0287369

chebi:1350
chebi:19853
keggC:M_C07024
seedM:M_cpd04322 		secondary/obsolete/fantasy identifier