Id http://purl.obolibrary.org/obo/CHEBI_94330
http://purl.obolibrary.org/obo/CHEBI_94330
Preferred Name

[(4aR,5R,6R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphinin-5-yl] butanoate
Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
[(4aR,5R,6R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphinin-5-yl] butanoate
label
[(4aR,5R,6R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphinin-5-yl] butanoate
has_obo_namespace
chebi_ontology
type
id
CHEBI:94330
_generalized_empirical_formula
C18H24N5O8P
in_subset
_monoisotopic_mass
469.13625
notation
CHEBI:94330
_inchi_string
InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-15-13-16(20-8-19-15)23(9-21-13)17-14(29-12(25)6-4-2)10-7-28-32(26,27)31-18(10)30-17/h8-10,14,17-18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,17-,18-/m1/s1
chemrof_charge
0
_inchi_key_string
ZKSUYDZTGVUZGX-BKCXMMJFSA-N
database_cross_reference
lincs.smallmolecule:LSM-4976
chemrof_mass
469.391
_smiles_string
CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2OP(=O)(O)OC[C@@H]2[C@H]1OC(=O)CCC
treeView
subClassOf
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