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glucagon-like peptide 2   Click here for help

GtoPdb Ligand ID: 3540

Abbreviated name: GLP-2
Synonyms: GLP-2 (1-33)
Compound class: Endogenous peptide in human, mouse or rat
Comment: Mouse GLP-2(1-33) differs from human at residues 11 (Serine) and 19 (Threonine). The mouse sequence differs to rat at residue 11 (Serine)
Species: Mouse
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(O)C)C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)C)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CO)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC
InChI InChI=1S/C165H255N43O56S/c1-22-77(11)125(156(255)185-96(45-47-115(168)216)141(240)206-130(84(18)213)161(260)183-94(43-34-35-50-166)140(239)201-128(80(14)25-4)159(258)208-131(85(19)214)162(261)198-111(164(263)264)66-124(230)231)202-151(250)101(55-76(9)10)188-145(244)104(58-89-67-175-93-42-33-32-41-91(89)93)191-147(246)106(61-117(170)218)197-157(256)126(78(12)23-2)203-152(251)103(57-88-39-30-27-31-40-88)189-149(248)109(64-122(226)227)193-137(236)95(44-36-51-174-165(171)172)184-160(259)129(83(17)212)205-134(233)82(16)179-142(241)99(53-74(5)6)187-146(245)105(60-116(169)217)192-150(249)110(65-123(228)229)194-143(242)100(54-75(7)8)196-158(257)127(79(13)24-3)204-163(262)132(86(20)215)207-155(254)114(72-211)199-139(238)98(49-52-265-21)182-138(237)97(46-48-119(220)221)181-148(247)108(63-121(224)225)195-154(253)113(71-210)200-144(243)102(56-87-37-28-26-29-38-87)190-153(252)112(70-209)180-118(219)69-176-136(235)107(62-120(222)223)186-133(232)81(15)178-135(234)92(167)59-90-68-173-73-177-90/h26-33,37-42,67-68,73-86,92,94-114,125-132,175,209-215H,22-25,34-36,43-66,69-72,166-167H2,1-21H3,(H2,168,216)(H2,169,217)(H2,170,218)(H,173,177)(H,176,235)(H,178,234)(H,179,241)(H,180,219)(H,181,247)(H,182,237)(H,183,260)(H,184,259)(H,185,255)(H,186,232)(H,187,245)(H,188,244)(H,189,248)(H,190,252)(H,191,246)(H,192,249)(H,193,236)(H,194,242)(H,195,253)(H,196,257)(H,197,256)(H,198,261)(H,199,238)(H,200,243)(H,201,239)(H,202,250)(H,203,251)(H,204,262)(H,205,233)(H,206,240)(H,207,254)(H,208,258)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,263,264)(H4,171,172,174)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-,129-,130-,131-,132-/m0/s1
InChI Key VSJTUHNYLFMYOE-HUADCCRNSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Peptide Sequence Click here for help
HADGSFSDEMSTILDNLATRDFINWLIQTKITD
His-Ala-Asp-Gly-Ser-Phe-Ser-Asp-Glu-Met-Ser-Thr-Ile-Leu-Asp-Asn-Leu-Ala-Thr-Arg-Asp-Phe-Ile-Asn-Trp-Leu-Ile-Gln-Thr-Lys-Ile-Thr-Asp
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel