CHEBI:43081 - 8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide

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ChEBI Name 8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide
ChEBI ID CHEBI:43081
Definition An optically active monocarboxylic acid also having amide and phosphonate functional groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H29N2O7P
Net Charge 0
Average Mass 476.45930
Monoisotopic Mass 476.17124
InChI InChI=1S/C23H29N2O7P/c26-20(12-7-13-23(28)29)25-22(16-19-10-5-2-6-11-19)33(30,31)32-17-21(27)24-15-14-18-8-3-1-4-9-18/h1-6,8-11,22H,7,12-17H2,(H,24,27)(H,25,26)(H,28,29)(H,30,31)/t22-/m0/s1
InChIKey DKQZZKSBRCTCQU-QFIPXVFZSA-N
SMILES OC(=O)CCCC(=O)N[C@H](Cc1ccccc1)[P@](O)(=O)OCC(=O)NCCc1ccccc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
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ChEBI Ontology
Outgoing 8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide (CHEBI:43081) has functional parent glutaric acid (CHEBI:17859)
8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide (CHEBI:43081) has role epitope (CHEBI:53000)
8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide (CHEBI:43081) is a dicarboxylic acid monoamide (CHEBI:35735)
8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide (CHEBI:43081) is a monocarboxylic acid (CHEBI:25384)
8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide (CHEBI:43081) is a organic phosphonate (CHEBI:37592)
IUPAC Name
(7R,8S)-8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide
Synonym Source
N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE PDBeChem
Manual Xrefs Databases
1MH5 PDB
1MJ7 PDB
1MJJ PDB
DB07881 DrugBank
HAL PDBeChem
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Citation Waiting for Citations Type Source
12948492 PubMed citation Europe PMC
Last Modified
31 December 2016