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CHEBI:75437 - gastrin-34

ChEBI IDCHEBI:75437
ChEBI Namegastrin-34
Stars
DefinitionOne of the primary forms of gastrin that is a 34-membered peptide consisting of Gln, Leu, Gly, Pro, Gln, Gly, Pro, Pro, His, Leu, Val, Ala, Asp, Pro, Ser, Lys, Lys, Gln, Gly, Pro, Trp, Leu, Glu, Glu, Glu, Glu, Glu, Ala, Tyr, Gly, Trp, Met, Asp and Phe residues joined in sequence.
Last Modified3 September 2013
SubmitterSteve
DownloadsMolfile
FormulaC176H253N43O54S
Net Charge0
Average Mass3867.274
Monoisotopic Mass3864.80938
SMILESCSCC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)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](CC(C)C)NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C176H253N43O54S/c1-89(2)70-116(205-149(245)103(179)45-53-132(180)222)152(248)189-85-137(227)215-64-23-36-127(215)169(265)203-109(47-55-134(182)224)151(247)188-86-138(228)217-66-27-40-131(217)175(271)219-68-26-39-130(219)171(267)210-122(77-99-82-183-88-190-99)165(261)207-118(72-91(5)6)167(263)214-146(92(7)8)173(269)192-94(10)148(244)211-124(79-145(241)242)174(270)218-67-25-38-129(218)172(268)213-126(87-220)168(264)195-107(35-20-22-63-178)155(251)194-106(34-19-21-62-177)156(252)196-108(46-54-133(181)223)150(246)187-84-136(226)216-65-24-37-128(216)170(266)209-121(76-98-81-185-105-33-18-16-31-102(98)105)164(260)206-117(71-90(3)4)162(258)201-114(52-60-143(237)238)160(256)200-113(51-59-142(235)236)159(255)199-112(50-58-141(233)234)158(254)198-111(49-57-140(231)232)157(253)197-110(48-56-139(229)230)154(250)191-93(9)147(243)204-119(73-96-41-43-100(221)44-42-96)153(249)186-83-135(225)193-120(75-97-80-184-104-32-17-15-30-101(97)104)163(259)202-115(61-69-274-11)161(257)208-123(78-144(239)240)166(262)212-125(176(272)273)74-95-28-13-12-14-29-95/h12-18,28-33,41-44,80-82,88-94,103,106-131,146,184-185,220-221H,19-27,34-40,45-79,83-87,177-179H2,1-11H3,(H2,180,222)(H2,181,223)(H2,182,224)(H,183,190)(H,186,249)(H,187,246)(H,188,247)(H,189,248)(H,191,250)(H,192,269)(H,193,225)(H,194,251)(H,195,264)(H,196,252)(H,197,253)(H,198,254)(H,199,255)(H,200,256)(H,201,258)(H,202,259)(H,203,265)(H,204,243)(H,205,245)(H,206,260)(H,207,261)(H,208,257)(H,209,266)(H,210,267)(H,211,244)(H,212,262)(H,213,268)(H,214,263)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,272,273)/t93-,94-,103-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,146-/m0/s1
InChIKeyFMIHGWZLPSIAFY-WGFKALLTSA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
cholecystokinin antagonist  A hormone antagonist that inhibits the action of the peptide hormone cholecystokinin.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
Application:
cholecystokinin antagonist  A hormone antagonist that inhibits the action of the peptide hormone cholecystokinin.
ChEBI Ontology
Outgoing Relation(s)
gastrin-34 (CHEBI:75437) is a gastrin (CHEBI:75436)
IUPAC Name 
L-glutaminyl-L-leucylglycyl-L-prolyl-L-glutaminylglycyl-L-prolyl-L-prolyl-L-histidyl-L-leucyl-L-valyl-L-alanyl-L-α-aspartyl-L-prolyl-L-seryl-L-lysyl-L-lysyl-L-glutaminylglycyl-L-prolyl-L-tryptophyl-L-leucyl-L-α-glutamyl-L-α-glutamyl-L-α-glutamyl-L-α-glutamyl-L-α-glutamyl-L-alanyl-L-tyrosylglycyl-L-tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalanine
Synonyms  Source
Gln-Leu-Gly-Pro-Gln-Gly-Pro-Pro-His-Leu-Val-Ala-Asp-Pro-Ser-Lys-Lys-Gln-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-PheChEBI
Big gastrinKEGG COMPOUND
QLGPQGPPHLVADPSKKQGPWLEEEEEAYGWMAFChEBI
Manual XrefsDatabases
C18187KEGG COMPOUND
WO2008106775Patent
EP2185180Patent
KR20100056511Patent
US2010190711Patent
AU2008303957Patent
Gastrin-34Wikipedia
Registry NumbersSources
Reaxys:18478868Reaxys
CAS:53988-98-0KEGG COMPOUND
Citations