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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:N-[(2S,3S,4R)-1-(alpha-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide
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Accession:CHEBI:139113 term browser browse the term
Definition:A synthetic sphingoid in which C16 phytosphingosine is substituted at O-1, C-16 and N with respectively an alpha-D-galactopyranosyl group, a phenyl group and an octanoyl group.
Synonyms:exact_synonym: N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide
 related_synonym: 1-O-alpha-D-galactopyranosyl-N-octanoyl-16-phenyl-(C16 phytosphingosine);   Formula=C36H63NO9;   InChI=1S/C36H63NO9/c1-2-3-4-11-19-24-31(40)37-28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)32(41)29(39)23-18-13-10-8-6-5-7-9-12-15-20-27-21-16-14-17-22-27/h14,16-17,21-22,28-30,32-36,38-39,41-44H,2-13,15,18-20,23-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1;   InChIKey=YDGPBAWHWVHKQP-QNAIHFNASA-N;   SMILES=[C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCC=2C=CC=CC2)O)O)NC(CCCCCCC)=O
 xref: PDBeChem:7LM;   PMID:28655912


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Term Annotations click to browse term
  CHEBI ontology 22192
    chemical entity 22191
      atom 22184
        nonmetal atom 22069
          carbon atom 21844
            organic molecular entity 21844
              lipid 18878
                sphingolipid 219
                  sphingoid 197
                    N-[(2S,3S,4R)-1-(alpha-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22192
    subatomic particle 22184
      composite particle 22184
        hadron 22184
          baryon 22184
            nucleon 22184
              atomic nucleus 22184
                atom 22184
                  main group element atom 22118
                    main group molecular entity 22118
                      s-block molecular entity 21717
                        hydrogen molecular entity 21635
                          hydrides 20775
                            inorganic hydride 18691
                              pnictogen hydride 18671
                                nitrogen hydride 18539
                                  azane 18447
                                    ammonia 18446
                                      organic amino compound 18446
                                        amino alcohol 1078
                                          aminodiol 191
                                            hexadecasphing-4-enine 0
                                              C16 phytosphingosine 0
                                                N-[(2S,3S,4R)-1-(alpha-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide 0
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