apelin-36   Click here for help

GtoPdb Ligand ID: 606

Comment: The PubChem link above links to a chemical structure for apelin-36.
Species: Human
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CCSC)CCCCN)Cc1nc[nH]c1)CO)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)CO)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N
Isomeric SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI InChI=1S/C185H298N68O42S/c1-100(2)83-108(188)148(265)246-147(102(5)6)173(290)238-122(60-63-140(191)258)175(292)252-80-33-55-135(252)170(287)233-111(43-20-67-209-178(192)193)150(267)221-94-144(262)248-76-29-52-132(248)167(284)234-118(49-26-73-215-184(204)205)159(276)244-129(97-254)152(269)222-95-143(261)247-75-28-51-131(247)166(283)223-96-146(264)250-78-31-54-134(250)169(286)242-126(87-105-89-217-109-40-15-14-39-107(105)109)163(280)231-119(58-61-138(189)256)151(268)219-91-141(259)218-92-142(260)225-112(44-21-68-210-179(194)195)153(270)228-114(45-22-69-211-180(196)197)154(271)227-113(42-17-19-66-187)157(274)240-125(85-103-35-10-8-11-36-103)162(279)230-116(47-24-71-213-182(200)201)155(272)229-115(46-23-70-212-181(198)199)156(273)232-120(59-62-139(190)257)160(277)236-121(50-27-74-216-185(206)207)174(291)251-79-32-56-136(251)171(288)235-117(48-25-72-214-183(202)203)158(275)239-124(84-101(3)4)161(278)245-130(98-255)165(282)241-127(88-106-90-208-99-224-106)164(281)226-110(41-16-18-65-186)149(266)220-93-145(263)249-77-30-53-133(249)168(285)237-123(64-82-296-7)176(293)253-81-34-57-137(253)172(289)243-128(177(294)295)86-104-37-12-9-13-38-104/h8-15,35-40,89-90,99-102,108,110-137,147,217,254-255H,16-34,41-88,91-98,186-188H2,1-7H3,(H2,189,256)(H2,190,257)(H2,191,258)(H,208,224)(H,218,259)(H,219,268)(H,220,266)(H,221,267)(H,222,269)(H,223,283)(H,225,260)(H,226,281)(H,227,271)(H,228,270)(H,229,272)(H,230,279)(H,231,280)(H,232,273)(H,233,287)(H,234,284)(H,235,288)(H,236,277)(H,237,285)(H,238,290)(H,239,275)(H,240,274)(H,241,282)(H,242,286)(H,243,289)(H,244,276)(H,245,278)(H,246,265)(H,294,295)(H4,192,193,209)(H4,194,195,210)(H4,196,197,211)(H4,198,199,212)(H4,200,201,213)(H4,202,203,214)(H4,204,205,215)(H4,206,207,216)/t108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,147-/m0/s1
InChI Key BVTLGARMSLXAHI-VDEROMQGSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
APLN apelin Human prepro-apelin apelin, AGTRL1 ligand, XNPEP2
Database Links Click here for help
CAS Registry No. 252642-12-9 (Hs)
GtoPdb PubChem SID 135651624
PubChem CID 16130451
Search Google for chemical match using the InChIKey BVTLGARMSLXAHI-VDEROMQGSA-N
Search Google for chemicals with the same backbone BVTLGARMSLXAHI
Search UniChem for chemical match using the InChIKey BVTLGARMSLXAHI-VDEROMQGSA-N
Search UniChem for chemicals with the same backbone BVTLGARMSLXAHI
UniProtKB Q9ULZ1 (Hs)