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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-OH-26:0)
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Accession:CHEBI:53004 term browser browse the term
Definition:A ceramide phosphoinositol compound having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen.
Synonyms:exact_synonym: (2S,3S,4S)-2-{[(2S)-2-hydroxyhexacosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate;   (2S,3S,4S)-2-{[(2S)-2-hydroxyhexacosanoyl]amino}-3,4-dihydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
 related_synonym: Formula=C50H100NO13P;   IPC;   IPC-3 (C26);   IPC-C (C26);   InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1;   InChIKey=PMXMKGYRVPAIJJ-CDDTYIOUSA-N;   InsPCer;   InsPCer-3 (C26);   InsPCer-C (C26);   SMILES=CCCCCCCCCCCCCCCCCCCCCCCC[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;   inositol-P-ceramide C (18:0/26:0);   inositol-P-ceramide C (C26)
 xref: PMID:18296751;   PMID:7957179;   PMID:9368039
 cyclic_relationship: is_conjugate_acid_of CHEBI:65164



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19860
    role 19832
      biological role 19830
        osmolyte 3451
          compatible osmolytes 379
            myo-inositol 2
              Ins-1-P-Cer(t18:0/2-OH-26:0) 0
                Man-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0) 0
                Man-beta1-6-Ins-1-P-Cer(t20:0/2-OH-26:0) + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    p-block element atom 19804
                      carbon group element atom 19745
                        carbon atom 19741
                          organic molecular entity 19741
                            heteroorganic entity 19494
                              organochalcogen compound 19257
                                organooxygen compound 19173
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      carboacyl group 17705
                                        univalent carboacyl group 17705
                                          carbamoyl group 17556
                                            carboxamide 17556
                                              ceramide 127
                                                cerebroside 25
                                                  galactosylceramide 25
                                                    beta-galactosylceramide 15
                                                      N-acyl-beta-D-galactosylphytosphingosine 15
                                                        phytosphingosine 15
                                                          phytosphingosine 1-phosphate 0
                                                            Ins-1-P-Cer(t18:0/2-OH-26:0) 0
                                                              Man-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0) 0
                                                              Man-beta1-6-Ins-1-P-Cer(t20:0/2-OH-26:0) + 0
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