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CHEBI:147415 - [Pyr1]apelin-13(2+)

ChEBI IDCHEBI:147415
ChEBI Name[Pyr1]apelin-13(2+)
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC69H110N22O16S
Net Charge+2
Average Mass1535.844
Monoisotopic Mass1534.81799
SMILESCSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1cncn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/p+2/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
InChIKeyGGMAXEWLXWJGSF-PEWBXTNBSA-P
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
[Pyr1]apelin-13(2+) (CHEBI:147415) has role human metabolite (CHEBI:77746)
[Pyr1]apelin-13(2+) (CHEBI:147415) is a peptide cation (CHEBI:60194)
[Pyr1]apelin-13(2+) (CHEBI:147415) is tautomer of p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe (CHEBI:138186)
Incoming Relation(s)
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe (CHEBI:138186) is tautomer of [Pyr1]apelin-13(2+) (CHEBI:147415)
Synonyms  Source
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-PheSUBMITTER
L-pyroglutamyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysyl-glycyl-L-prolyl-L-methionyl-L-prolyl-L-phenylalanineSUBMITTER
UniProt Name  Source
[Pyr1]apelin-13UniProt
Citations