CHEBI:44515 - 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate

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ChEBI Name 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate
ChEBI ID CHEBI:44515
Definition A monocarboxylic acid anion that is the conjugate base of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid, formed ny proton loss from the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H17N2O6
Net Charge -1
Average Mass 309.29460
Monoisotopic Mass 309.10921
InChI InChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)/p-1
InChIKey XAYGJFACOIKJCT-UHFFFAOYSA-M
SMILES Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O
ChEBI Ontology
Outgoing 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate (CHEBI:44515) is a monocarboxylic acid anion (CHEBI:35757)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate (CHEBI:44515) is conjugate base of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604)
Incoming 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604) is conjugate acid of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate (CHEBI:44515)
IUPAC Name
6-[2-(4-hydroxy-3-nitrophenyl)acetamido]hexanoate
Synonyms Sources
4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION PDBeChem
6-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoate IUPAC
Manual Xrefs Databases
DB08295 DrugBank
NPC PDBeChem
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Last Modified
22 December 2015