apelin-13   Click here for help

GtoPdb Ligand ID: 605

Synonyms: [Pyr1]-Apelin-13
Comment: The human peptide is identical to mouse and rat sequences
Species: Human, Mouse, Rat
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CCSC)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCC(=O)N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CO
Isomeric SMILES NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCSC)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CO
InChI InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
InChI Key XXCCRHIAIBQDPX-PEWBXTNBSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
Synonyms Click here for help
[Pyr1]-Apelin-13
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
APLN apelin Human prepro-apelin apelin, AGTRL1 ligand, XNPEP2
Apln apelin Mouse prepro-apelin -
Apln apelin Rat prepro-apelin Apel, apelin, AGTRL1 ligand, APJ endogenous ligand
Database Links Click here for help
CAS Registry No. 217082-60-5
ChEMBL Ligand CHEMBL414173
Ensembl Gene ENSG00000171388 (Hs), ENSRNOG00000003984 (Rn), ENSMUSG00000037010 (Mm)
GtoPdb PubChem SID 135651621
Human Protein Atlas ENSG00000171388 (Hs)
PubChem CID 25078060
Search Google for chemical match using the InChIKey XXCCRHIAIBQDPX-PEWBXTNBSA-N
Search Google for chemicals with the same backbone XXCCRHIAIBQDPX
UniChem Compound Search for chemical match using the InChIKey XXCCRHIAIBQDPX-PEWBXTNBSA-N
UniChem Connectivity Search for chemical match using the InChIKey XXCCRHIAIBQDPX-PEWBXTNBSA-N
UniProtKB Q9R0R4 (Mm), Q9R0R3 (Rn), Q9ULZ1 (Hs)