neurotensin (CHEBI:7542)

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CHEBI:7542 - neurotensin

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ChEBI ID	CHEBI:7542
ChEBI Name	neurotensin
Stars
Definition	A 13 amino acid peptide hormone which is found in the central nervous system and the gastrointestinal tract. It behaves as a neurotransmitter in the brain, as a hormone in the gut, and also as a neuromodulator. It is implicated in the pathophysiology of several CNS disorders (including schizophrenia, Parkinson's disease, drug abuse, pain, cancer, inflammation, eating disorders and central control of blood pressure) due to its association with a wide variety of neurotransmitter systems such as dopaminergic, sertonergic, glutamatergic, GABAergic, and cholinergic systems.
Last Modified	17 April 2020
Downloads	Molfile

Formula	C78H121N21O20
Net Charge	0
Average Mass	1672.953
Monoisotopic Mass	1671.90968
SMILES	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChI	InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
InChIKey	PCJGZPGTCUMMOT-ISULXFBGSA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	-	DOI (10.1038/nbt.2488)
	cerebrospinal fluid (UBERON:0001359)	PubMed (26453765)

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).
Biological Roles:	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). neurotransmitter An endogenous compound that is used to transmit information across the synapse between a neuron and another cell. mitogen A chemical substance that encourages a cell to commence cell division, triggering mitosis. 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:	vulnerary A drug used in treating and healing of wounds.

ChEBI Ontology

Outgoing Relation(s)
	neurotensin (CHEBI:7542) has role human metabolite (CHEBI:77746)
	neurotensin (CHEBI:7542) has role mitogen (CHEBI:52290)
	neurotensin (CHEBI:7542) has role neurotransmitter (CHEBI:25512)
	neurotensin (CHEBI:7542) has role vulnerary (CHEBI:73336)
	neurotensin (CHEBI:7542) is a peptide hormone (CHEBI:25905)
	neurotensin (CHEBI:7542) is conjugate base of neurotensin(1+) (CHEBI:147362)
Incoming Relation(s)
Incoming Relation(s)	neurotensin(1+) (CHEBI:147362) is conjugate acid of neurotensin (CHEBI:7542)

IUPAC Name
5-oxo-L-prolyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparaginyl-L-lysyl-L-prolyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucyl-L-leucine

Synonyms	Source
5-oxo-L-Pro-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro-L-Arg-L-Arg-L-Pro-L-Tyr-L-Ile-L-Leu	ChEBI
5-oxo-L-Pro-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro-L-Arg-L-Arg-L-Pro-L-Tyr-L-Ile-L-Leu-OH	ChEBI
Glp-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH	ChEBI
	IUPAC
neurotensin	KEGG COMPOUND
neurotensin (1-13)	ChEBI

Manual Xrefs	Databases
C01836	KEGG COMPOUND
Neurotensin	Wikipedia

Registry Numbers	Sources
CAS:39379-15-2	ChemIDplus
CAS:39379-15-2	KEGG COMPOUND
CAS:55508-42-4	ChemIDplus
CAS:58889-67-1	ChEBI

Citations