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ONTOLOGY REPORT - ANNOTATIONS


Term:(3S)-3,6-diamino-N-[(3S,9S,12S,15S)-3-[(4S,6R)-2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide
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Accession:CHEBI:94788 term browser browse the term
Definition:A peptide that has formula C25H43N13O10.
Synonyms:related_synonym: Formula=C25H43N13O10;   InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/t10-,11+,12-,14-,15-,17-,18-/m0/s1;   InChIKey=GXFAIFRPOKBQRV-XYMATORPSA-N;   SMILES=C1[C@@H](NC(=N[C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(=CNC(=O)N)C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N
 xref: LINCS:LSM-5937


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  CHEBI ontology 20965
    chemical entity 20963
      group 20802
        organic group 19164
          amino-acid residue 9415
            peptide 9414
              (3S)-3,6-diamino-N-[(3S,9S,12S,15S)-3-[(4S,6R)-2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20965
    subatomic particle 20959
      composite particle 20959
        hadron 20959
          baryon 20959
            nucleon 20959
              atomic nucleus 20959
                atom 20959
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20536
                        carbon atom 20512
                          organic molecular entity 20512
                            organic group 19164
                              organic divalent group 19154
                                organodiyl group 19154
                                  carbonyl group 19124
                                    carbonyl compound 19124
                                      carboxylic acid 18804
                                        carboacyl group 17444
                                          univalent carboacyl group 17444
                                            carbamoyl group 17145
                                              carboxamide 17145
                                                peptide 9414
                                                  (3S)-3,6-diamino-N-[(3S,9S,12S,15S)-3-[(4S,6R)-2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.