PTHrP-(107-139)   Click here for help

GtoPdb Ligand ID: 3670

Synonyms: osteostatin | parathyroid hormone-related peptide 107-139
Compound class: Endogenous peptide in human, mouse or rat
Comment: C-terminal fragment of parathyroid hormone related peptide.
Species: Human
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.

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Canonical SMILES OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)CO)CC(=O)O)CC(C)C)CCC(=O)O)CC(C)C)CO)C(O)C)C(O)C)CO)C(O)C)CC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)N)CCCN=C(N)N)CO)C)CC(C)C)CC(=O)O)CO)CO)CC(C)C)CCC(=O)O)Cc1c[nH]cn1)CC(C)C
Isomeric SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
InChI InChI=1S/C142H228N42O58/c1-58(2)33-78(158-96(197)47-153-114(215)89(50-185)160-98(199)48-155-135(236)108(66(15)193)183-136(237)107(63(11)12)180-99(200)49-154-115(216)90(51-186)174-126(227)86(41-103(207)208)171-121(222)81(36-61(7)8)167-123(224)83(38-70-44-151-73-24-20-19-23-72(70)73)165-112(213)64(13)157-129(230)91(52-187)175-116(217)74(25-21-31-149-141(144)145)163-134(235)106(143)65(14)192)118(219)161-75(27-29-100(201)202)113(214)152-46-97(198)159-85(40-102(205)206)125(226)170-84(39-71-45-148-57-156-71)124(225)168-82(37-62(9)10)122(223)176-93(54-189)131(232)173-88(43-105(211)212)128(229)181-109(67(16)194)137(238)179-95(56-191)133(234)182-111(69(18)196)139(240)184-110(68(17)195)138(239)178-94(55-190)132(233)169-79(34-59(3)4)119(220)162-76(28-30-101(203)204)117(218)166-80(35-60(5)6)120(221)172-87(42-104(209)210)127(228)177-92(53-188)130(231)164-77(140(241)242)26-22-32-150-142(146)147/h19-20,23-24,44-45,57-69,74-95,106-111,151,185-196H,21-22,25-43,46-56,143H2,1-18H3,(H,148,156)(H,152,214)(H,153,215)(H,154,216)(H,155,236)(H,157,230)(H,158,197)(H,159,198)(H,160,199)(H,161,219)(H,162,220)(H,163,235)(H,164,231)(H,165,213)(H,166,218)(H,167,224)(H,168,225)(H,169,233)(H,170,226)(H,171,222)(H,172,221)(H,173,232)(H,174,227)(H,175,217)(H,176,223)(H,177,228)(H,178,239)(H,179,238)(H,180,200)(H,181,229)(H,182,234)(H,183,237)(H,184,240)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,241,242)(H4,144,145,149)(H4,146,147,150)/t64-,65+,66+,67+,68+,69+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,106-,107-,108-,109-,110-,111-/m0/s1
InChI Key JDXPQNLGWWSTQH-MPTHIHOZSA-N
Peptide Sequence Click here for help
TRSAWLDSGVTGSGLEGDHLSDTSTTSLELDSR
Thr-Arg-Ser-Ala-Trp-Leu-Asp-Ser-Gly-Val-Thr-Gly-Ser-Gly-Leu-Glu-Gly-Asp-His-Leu-Ser-Asp-Thr-Ser-Thr-Thr-Ser-Leu-Glu-Leu-Asp-Ser-Arg
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