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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 23759
    chemical entity 23722
      group 23576
        organic group 21900
          amino-acid residue 9774
            peptide 9772
              (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 23759
    subatomic particle 23708
      composite particle 23708
        hadron 23708
          baryon 23708
            nucleon 23708
              atomic nucleus 23708
                atom 23708
                  main group element atom 23528
                    p-block element atom 23528
                      carbon group element atom 23239
                        carbon atom 23216
                          organic molecular entity 23216
                            organic group 21900
                              organic divalent group 21872
                                organodiyl group 21872
                                  carbonyl group 21844
                                    carbonyl compound 21844
                                      carboxylic acid 20889
                                        carboacyl group 18983
                                          univalent carboacyl group 18983
                                            carbamoyl group 18370
                                              carboxamide 18370
                                                peptide 9772
                                                  (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.