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CHEBI:149669 - apelin-12

ChEBI IDCHEBI:149669
ChEBI Nameapelin-12
Stars
DefinitionA 12 amino acid oligopeptide fragment of apelin-13 lacking the terminal L-phenylalanine residue.
Last Modified7 May 2020
SubmitterAdnan
DownloadsMolfile
FormulaC60H102N22O15S
Net Charge0
Average Mass1403.682
Monoisotopic Mass1402.76157
SMILESCSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=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)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
InChIKeyQZNKGTRFBWGADN-SLUWFFAESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) PubMed (31321006)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
biomarker  A substance used as an indicator of a biological state.
ChEBI Ontology
Outgoing Relation(s)
apelin-12 (CHEBI:149669) has role biomarker (CHEBI:59163)
apelin-12 (CHEBI:149669) has role human blood serum metabolite (CHEBI:85234)
apelin-12 (CHEBI:149669) has role human metabolite (CHEBI:77746)
apelin-12 (CHEBI:149669) has role neuroprotective agent (CHEBI:63726)
apelin-12 (CHEBI:149669) is a oligopeptide (CHEBI:25676)
apelin-12 (CHEBI:149669) is conjugate base of apelin-12(3+) (CHEBI:147396)
Incoming Relation(s)
apelin-12(3+) (CHEBI:147396) is conjugate acid of apelin-12 (CHEBI:149669)
IUPAC Name 
L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-proline
Synonyms  Source
Q-R-P-R-L-S-H-K-G-P-M-PChEBI
H-Gln-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-OHChEBI
QRPRLSHKGPMPChEBI
apelin-12 (human)ChEBI
apelin-13 (1-12)ChEBI
Gln-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-ProChEBI
Manual XrefsDatabases
HMDB0060264HMDB
Citations