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CHEBI:147422 - apelin-16(6+)

ChEBI IDCHEBI:147422
ChEBI Nameapelin-16(6+)
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC87H153N33O19S
Net Charge+6
Average Mass1997.460
Monoisotopic Mass1996.17083
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](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-]
InChIInChI=1S/C87H147N33O19S/c1-49(2)42-60(75(130)117-63(47-121)78(133)116-62(44-51-45-100-48-106-51)77(132)107-53(21-8-10-33-89)70(125)105-46-68(123)118-38-15-26-64(118)79(134)113-59(31-41-140-3)82(137)120-40-17-28-66(120)83(138)139)115-73(128)56(24-13-36-103-86(96)97)111-80(135)65-27-16-39-119(65)81(136)58(25-14-37-104-87(98)99)112-74(129)57(29-30-67(91)122)110-72(127)54(22-11-34-101-84(92)93)108-71(126)55(23-12-35-102-85(94)95)109-76(131)61(43-50-18-5-4-6-19-50)114-69(124)52(90)20-7-9-32-88/h4-6,18-19,45,48-49,52-66,121H,7-17,20-44,46-47,88-90H2,1-3H3,(H2,91,122)(H,100,106)(H,105,125)(H,107,132)(H,108,126)(H,109,131)(H,110,127)(H,111,135)(H,112,129)(H,113,134)(H,114,124)(H,115,128)(H,116,133)(H,117,130)(H,138,139)(H4,92,93,101)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)/p+6/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
InChIKeyZGFPLFJKWXQONA-ORCNDFFUSA-T
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
apelin-16(6+) (CHEBI:147422) has role human metabolite (CHEBI:77746)
apelin-16(6+) (CHEBI:147422) is a peptide cation (CHEBI:60194)
Synonyms  Source
Lys-Phe-Arg-Arg-Gln-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-ProSUBMITTER
L-lysyl-L-phenylalanyl-L-arginyl-L-arginyl-L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysyl-glycyl-L-prolyl-L-methionyl-L-prolineSUBMITTER
UniProt Name  Source
apelin-16UniProt
Citations