Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2 (CHEBI:138169)

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CHEBI:138169 - Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH₂

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ChEBI ID	CHEBI:138169
ChEBI Name	Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH₂
Stars
ASCII Name	Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2
Definition	An eight-membered oligopeptide consisting of Asp, Tyr, Met, Gly, Trp, Met, As and Phe-NH₂ residues joined in sequence.
Last Modified	11 August 2017
Submitter	Steve
Downloads	Molfile

Formula	C49H62N10O13S2
Net Charge	0
Average Mass	1063.226
Monoisotopic Mass	1062.39392
SMILES	CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI	InChI=1S/C49H62N10O13S2/c1-73-18-16-34(55-47(70)37(21-28-12-14-30(60)15-13-28)58-44(67)32(50)23-41(62)63)45(68)53-26-40(61)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(71)56-35(17-19-74-2)46(69)59-39(24-42(64)65)49(72)57-36(43(51)66)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52,60H,16-24,26,50H2,1-2H3,(H2,51,66)(H,53,68)(H,54,61)(H,55,70)(H,56,71)(H,57,72)(H,58,67)(H,59,69)(H,62,63)(H,64,65)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKey	OIXQINQYMGNCII-YRVFCXMDSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH₂ (CHEBI:138169) has role human metabolite (CHEBI:77746)
	Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH₂ (CHEBI:138169) has role mouse metabolite (CHEBI:75771)
	Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH₂ (CHEBI:138169) has role rat metabolite (CHEBI:86264)
	Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH₂ (CHEBI:138169) is a oligopeptide (CHEBI:25676)
	Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH₂ (CHEBI:138169) is a peptidyl amide (CHEBI:15722)

IUPAC Name
L-α-aspartyl-L-tyrosyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamide

Synonyms	Source
desulfated sincalide	ChEBI
desulfated cholecystokinin-8	ChEBI
L-Asp-L-Tyr-L-Met-Gly-L-Trp-L-Met-L-Asp-L-Phe-NH₂	ChEBI
DYMGWMDF-NH₂	ChEBI
desulfated CCK-8	ChEBI

Registry Numbers	Sources
Reaxys:4228315	Reaxys

Citations