Gastrin human
PubChem CID
16132262
Structure
Molecular Formula
Synonyms
- Gastrin human
- Gastrins
- UNII-M2ZSG4KZO6
- M2ZSG4KZO6
- 9002-76-0
Molecular Weight
3980 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2007-07-03
- Modify:2025-01-11
Description
A family of gastrointestinal peptide hormones that excite the secretion of GASTRIC JUICE. They may also occur in the central nervous system where they are presumed to be neurotransmitters.
Chemical Structure Depiction
Conformer generation is disallowed since too many atoms, too flexible
SVG Image
IUPAC Condensed
H-Pyr-Pro-Leu-Gly-Leu-Gln-Gly-Pro-Pro-His-Leu-Val-Ala-Asp-Leu-Ala-Lys-Lys-Gln-Gly-Pro-Trp-Met-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2
Sequence
XPLGLQGPPHLVADLAKKQGPWMEEEEEAYGWMDF
HELM
PEPTIDE1{[Glp].P.L.G.L.Q.G.P.P.H.L.V.A.D.L.A.K.K.Q.G.P.W.M.E.E.E.E.E.A.Y.G.W.M.D.F.[am]}$$$$
IUPAC
L-pyroglutamyl-L-prolyl-L-leucyl-glycyl-L-leucyl-L-glutaminyl-glycyl-L-prolyl-L-prolyl-L-histidyl-L-leucyl-L-valyl-L-alanyl-L-alpha-aspartyl-L-leucyl-L-alanyl-L-lysyl-L-lysyl-L-glutaminyl-glycyl-L-prolyl-L-tryptophyl-L-methionyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alanyl-L-tyrosyl-glycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-4-methyl-2-[[2-[[(2S)-4-methyl-2-[[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C182H264N44O53S2/c1-92(2)73-123(219-178(275)134-40-28-69-225(134)181(278)121-49-57-139(230)199-121)158(255)191-87-140(231)200-124(74-93(3)4)170(267)205-113(48-56-138(186)229)157(254)194-90-143(234)224-68-30-42-136(224)182(279)226-70-29-41-135(226)179(276)221-130(81-104-86-188-91-195-104)173(270)217-126(76-95(7)8)176(273)222-151(96(9)10)180(277)198-99(13)155(252)215-131(82-149(245)246)175(272)216-125(75-94(5)6)169(266)197-97(11)153(250)202-110(37-23-25-65-183)161(258)203-111(38-24-26-66-184)162(259)204-112(47-55-137(185)228)156(253)193-89-142(233)223-67-27-39-133(223)177(274)220-129(80-103-85-190-109-36-22-20-34-107(103)109)172(269)212-119(63-71-280-14)167(264)210-118(54-62-148(243)244)166(263)209-117(53-61-147(241)242)165(262)208-116(52-60-146(239)240)164(261)207-115(51-59-145(237)238)163(260)206-114(50-58-144(235)236)160(257)196-98(12)154(251)214-127(78-101-43-45-105(227)46-44-101)159(256)192-88-141(232)201-128(79-102-84-189-108-35-21-19-33-106(102)108)171(268)211-120(64-72-281-15)168(265)218-132(83-150(247)248)174(271)213-122(152(187)249)77-100-31-17-16-18-32-100/h16-22,31-36,43-46,84-86,91-99,110-136,151,189-190,227H,23-30,37-42,47-83,87-90,183-184H2,1-15H3,(H2,185,228)(H2,186,229)(H2,187,249)(H,188,195)(H,191,255)(H,192,256)(H,193,253)(H,194,254)(H,196,257)(H,197,266)(H,198,277)(H,199,230)(H,200,231)(H,201,232)(H,202,250)(H,203,258)(H,204,259)(H,205,267)(H,206,260)(H,207,261)(H,208,262)(H,209,263)(H,210,264)(H,211,268)(H,212,269)(H,213,271)(H,214,251)(H,215,252)(H,216,272)(H,217,270)(H,218,265)(H,219,275)(H,220,274)(H,221,276)(H,222,273)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)/t97-,98-,99-,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-,151-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
OKGNKPYIPKMGLR-ZPCKCTIPSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@@H]9CCCN9C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C182H264N44O53S2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Gastrin
- Gastrins
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
3980 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-8.5
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
47
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
58
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
123
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
3978.8790366 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
3977.8756818 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
1560 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
281
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
9830
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
31
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Hormones
Chemical substances having a specific regulatory effect on the activity of a certain organ or organs. The term was originally applied to substances secreted by various ENDOCRINE GLANDS and transported in the bloodstream to the target organs. It is sometimes extended to include those substances that are not produced by the endocrine glands but that have similar effects. (See all compounds classified as Hormones.)
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxGastrin humanhttps://comptox.epa.gov/dashboard/DTXSID40237999CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Comparative Toxicogenomics Database (CTD)LICENSEIt is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.http://ctdbase.org/about/legal.jsp
- WikidataGastrin humanhttps://www.wikidata.org/wiki/Q83154290
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS