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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:VPC 23019
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Accession:CHEBI:144948 term browser browse the term
Definition:A secondary carboxamide resulting from the formal condensation of the carboxy group of O-phospho-D-serine with the amino group of m-octylaniline. An analogue of sphingosine-1-phosphate (S1P), it is a potent antagonist for both S1P1 and S1P3 receptors. It can inhibit S1P-induced migration of thyroid cancer cells, ovarian cancer cells, and neural stem cells.
Synonyms:exact_synonym: (2R)-2-amino-3-(3-octylanilino)-3-oxopropyl dihydrogen phosphate;   N-(3-octylphenyl)-O-phosphono-D-serinamide
 related_synonym: (2R)-2-amino-N-(3-octylphenyl)-3-(phosphonooxy)-propanamide;   (R)-phosphoric acid mono-[2-amino-2-(3-octyl-phenylcarbamoyl)-ethyl] ester;   Formula=C17H29N2O5P;   InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)19-17(20)16(18)13-24-25(21,22)23/h8,10-12,16H,2-7,9,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1;   InChIKey=MRUSUGVVWGNKFE-MRXNPFEDSA-N;   SMILES=P(O)(OC[C@H](C(=O)NC=1C=C(CCCCCCCC)C=CC1)N)(=O)O;   VPC23019
 xref: CAS:449173-19-7;   PMID:15590668;   PMID:20097776;   PMID:23360427;   PMID:24586752;   PMID:24814049;   PMID:25880547;   PMID:26079370;   PMID:26943364;   PMID:27605019;   PMID:29150495;   PMID:29790626;   PMID:30192865;   PMID:30629456;   PMID:30680029;   PMID:30782093;   PMID:30877755;   PMID:31097221

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        pharmacological role 0
          antagonist 0
            sphingosine-1-phosphate receptor antagonist 0
              sphingosine-1-phosphate receptor 3 antagonist 0
                VPC 23019 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                pnictogen oxoacid 0
                                  phosphorus oxoacid 0
                                    phosphoric acids 0
                                      phosphoric acid 0
                                        phosphoric acid derivative 0
                                          phosphate 0
                                            organic phosphate 0
                                              O-phosphoamino acid 0
                                                O-phosphoserine 0
                                                  O-phospho-D-serine 0
                                                    VPC 23019 0
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