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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:apelin-12(3+)
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Accession:CHEBI:147396 term browser browse the term
Definition:A peptide cation obtained from the protonation of the N-terminus amino group and L-arginyl side chains, and deprotonation of the C-terminus carboxy group of apelin-12. It is the major species at pH 7.3.
Synonyms:exact_synonym: N(2)-[(2S)-5-amino-2-azaniumyl-5-oxopentanoyl]-N(5)-[amino(iminio)methyl]-L-ornithyl-L-prolyl-N(5)-[amino(iminio)methyl]-L-ornithyl-L-leucyl-L-seryl-N-[(2S)-6-azaniumyl-1-({2-[(2S)-2-{[(2S)-1-[(2S)-2-carboxylatopyrrolidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}amino)-1-oxohexan-2-yl]-L-histidinamide
 related_synonym: Formula=C60H105N22O15S;   Gln-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro(3+);   InChI=1S/C60H102N22O15S/c1-33(2)27-40(77-50(88)37(12-6-21-69-59(64)65)74-55(93)44-15-9-24-81(44)56(94)38(13-7-22-70-60(66)67)75-48(86)35(62)17-18-46(63)84)51(89)79-42(31-83)53(91)78-41(28-34-29-68-32-72-34)52(90)73-36(11-4-5-20-61)49(87)71-30-47(85)80-23-8-14-43(80)54(92)76-39(19-26-98-3)57(95)82-25-10-16-45(82)58(96)97/h29,32-33,35-45,83H,4-28,30-31,61-62H2,1-3H3,(H2,63,84)(H,68,72)(H,71,87)(H,73,90)(H,74,93)(H,75,86)(H,76,92)(H,77,88)(H,78,91)(H,79,89)(H,96,97)(H4,64,65,69)(H4,66,67,70)/p+3/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1;   InChIKey=QZNKGTRFBWGADN-SLUWFFAESA-Q;   L-Gln-L-Arg-L-Pro-L-Arg-L-Leu-L-Ser-L-His-L-Lys-L-Gly-L-Pro-L-Met-L-Pro(3+);   L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-proline(3+);   SMILES=[O-]C(=O)[C@H]1N(CCC1)C([C@H](CCSC)NC(=O)[C@H]2N(CCC2)C(=O)CNC([C@H](CCCC[NH3+])NC([C@H](CC3=CN=CN3)NC([C@H](CO)NC([C@H](CC(C)C)NC([C@H](CCCNC(=[NH2+])N)NC(=O)[C@H]4N(CCC4)C([C@H](CCCNC(=[NH2+])N)NC([C@H](CCC(=O)N)[NH3+])=O)=O)=O)=O)=O)=O)=O)=O;   apelin-(1-12)(3+);   apelin-12;   apelin-12 peptide(3+)
 xref: PMID:11815627
 cyclic_relationship: is_conjugate_acid_of CHEBI:149669

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  CHEBI ontology 2
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      molecular entity 2
        ion 1
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                apelin-12(3+) 0
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  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    main group molecular entity 2
                      p-block molecular entity 2
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                                  apelin-12(3+) 0
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