CHEBI:44604 - 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid

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ChEBI Name 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid
ChEBI ID CHEBI:44604
Definition An N-acylamino acid consisting of 6-aminohexanoic acid bearing an N-(4-hydroxy-3-nitrophenyl)acetyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H18N2O6
Net Charge 0
Average Mass 310.30250
Monoisotopic Mass 310.11649
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)
InChIKey XAYGJFACOIKJCT-UHFFFAOYSA-N
SMILES OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604) has functional parent 6-aminohexanoic acid (CHEBI:16586)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604) is a 2-nitrophenols (CHEBI:86421)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604) is a N-acyl-amino acid (CHEBI:51569)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604) is conjugate acid of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate (CHEBI:44515)
Incoming 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate (CHEBI:44515) is conjugate base of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproyl group (CHEBI:58988) is substituent group from 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604)
IUPAC Name
6-[2-(4-hydroxy-3-nitrophenyl)acetamido]hexanoic acid
Synonyms Sources
4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID PDBeChem
6-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoic acid IUPAC
Manual Xref Database
NP PDBeChem
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Last Modified
22 December 2015