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CHEBI:147416 - [Pyr1]apelin-12(2+)

ChEBI IDCHEBI:147416
ChEBI Name[Pyr1]apelin-12(2+)
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC60H101N21O15S
Net Charge+2
Average Mass1388.667
Monoisotopic Mass1387.74958
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)[O-]
InChIInChI=1S/C60H99N21O15S/c1-33(2)27-40(76-49(86)36(12-6-21-67-59(62)63)73-55(92)44-15-9-24-80(44)56(93)38(13-7-22-68-60(64)65)74-50(87)37-17-18-46(83)71-37)51(88)78-42(31-82)53(90)77-41(28-34-29-66-32-70-34)52(89)72-35(11-4-5-20-61)48(85)69-30-47(84)79-23-8-14-43(79)54(91)75-39(19-26-97-3)57(94)81-25-10-16-45(81)58(95)96/h29,32-33,35-45,82H,4-28,30-31,61H2,1-3H3,(H,66,70)(H,69,85)(H,71,83)(H,72,89)(H,73,92)(H,74,87)(H,75,91)(H,76,86)(H,77,90)(H,78,88)(H,95,96)(H4,62,63,67)(H4,64,65,68)/p+2/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
InChIKeyRDEHKCXWTDAMPV-SLUWFFAESA-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-12(2+) (CHEBI:147416) has role human metabolite (CHEBI:77746)
[Pyr1]apelin-12(2+) (CHEBI:147416) is a peptide cation (CHEBI:60194)
Synonyms  Source
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-ProSUBMITTER
L-pyroglutamyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysyl-glycyl-L-prolyl-L-methionyl-L-prolineSUBMITTER
[Pyr1]apelin-13(1-12)SUBMITTER
UniProt Name  Source
[Pyr1]apelin-12UniProt
Citations