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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:Ins-1-P-Cer(t18:0/2,3-OH-24:0)
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Accession:CHEBI:60414 term browser browse the term
Definition:A ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 and C-3 of the very-long-chain fatty acid.
Synonyms:exact_synonym: (2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate;   (2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
 related_synonym: Formula=C48H96NO14P;   IPC-4 (C24);   IPC-D (C24);   InChI=1S/C48H96NO14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(51)41(53)48(59)49-37(36-62-64(60,61)63-47-45(57)43(55)42(54)44(56)46(47)58)40(52)38(50)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-47,50-58H,3-36H2,1-2H3,(H,49,59)(H,60,61)/t37-,38-,39+,40-,41-,42-,43-,44+,45+,46+,47-/m0/s1;   InChIKey=IFSVZMZUQHMLDK-KEMDANTFSA-N;   SMILES=CCCCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](O)C(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC;   inositol-P-ceramide D (18:0/24:0);   inositol-P-ceramide D (C24)
 xref: PMID:18296751;   PMID:9368039
 cyclic_relationship: is_conjugate_acid_of CHEBI:65166


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  CHEBI ontology 19841
    role 19817
      biological role 19815
        biochemical role 19529
          metabolite 19515
            eukaryotic metabolite 19337
              fungal metabolite 17880
                Saccharomyces cerevisiae metabolite 17315
                  Ins-1-P-Cer(t18:0/2,3-OH-24:0) 0
                    Man-beta1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      carboacyl group 17698
                                        univalent carboacyl group 17698
                                          carbamoyl group 17548
                                            carboxamide 17548
                                              ceramide 127
                                                cerebroside 25
                                                  galactosylceramide 25
                                                    beta-galactosylceramide 15
                                                      N-acyl-beta-D-galactosylphytosphingosine 15
                                                        phytosphingosine 15
                                                          N-acylphytosphingosine 2
                                                            (4R)-N-(2,3-dihydroxytetracosanoyl)-4-hydroxysphinganine 0
                                                              Ins-1-P-Cer(t18:0/2,3-OH-24:0) 0
                                                                Man-beta1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) + 0
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