teduglutide (CHEBI:72305)

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CHEBI:72305 - teduglutide

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ChEBI ID	CHEBI:72305
ChEBI Name	teduglutide
Stars
Definition	A 33-membered polypeptide consisting of His, Gly, Asp, Gly, Ser, Phe, Ser, Asp, Glu, Met, Asn, Thr, Ile, Leu, Asp, Asn, Leu, Ala, Ala, Arg, Asp, Phe, Ile, Asn, Trp, Leu, Ile, Gln, Thr, Lys, Ile, Thr and Asp residues joined in sequence. A glucagon-like peptide-2 receptor agonist used for the treatment of short-bowel syndrome.
Last Modified	22 February 2017
Submitter	Steve
Downloads	Molfile

Formula	C164H252N44O55S
Net Charge	0
Average Mass	3752.140
Monoisotopic Mass	3749.79954
SMILES	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cncn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC
InChI	InChI=1S/C164H252N44O55S/c1-21-77(11)126(156(255)187-95(44-46-114(167)214)141(240)206-130(83(17)211)160(259)186-93(42-33-34-49-165)140(239)202-129(80(14)24-4)159(258)208-131(84(18)212)161(260)200-111(163(262)263)66-125(230)231)203-151(250)100(54-76(9)10)189-145(244)103(57-88-67-175-92-41-32-31-40-90(88)92)192-147(246)105(60-116(169)216)199-157(256)127(78(12)22-2)204-152(251)102(56-87-38-29-26-30-39-87)190-149(248)109(64-123(226)227)195-137(236)94(43-35-50-174-164(171)172)183-134(233)82(16)179-133(232)81(15)180-142(241)98(52-74(5)6)188-146(245)104(59-115(168)215)194-150(249)110(65-124(228)229)196-143(242)99(53-75(7)8)198-158(257)128(79(13)23-3)205-162(261)132(85(19)213)207-153(252)106(61-117(170)217)193-139(238)97(48-51-264-20)185-138(237)96(45-47-120(220)221)184-148(247)108(63-122(224)225)197-155(254)113(72-210)201-144(243)101(55-86-36-27-25-28-37-86)191-154(253)112(71-209)182-119(219)70-177-136(235)107(62-121(222)223)181-118(218)69-176-135(234)91(166)58-89-68-173-73-178-89/h25-32,36-41,67-68,73-85,91,93-113,126-132,175,209-213H,21-24,33-35,42-66,69-72,165-166H2,1-20H3,(H2,167,214)(H2,168,215)(H2,169,216)(H2,170,217)(H,173,178)(H,176,234)(H,177,235)(H,179,232)(H,180,241)(H,181,218)(H,182,219)(H,183,233)(H,184,247)(H,185,237)(H,186,259)(H,187,255)(H,188,245)(H,189,244)(H,190,248)(H,191,253)(H,192,246)(H,193,238)(H,194,249)(H,195,236)(H,196,242)(H,197,254)(H,198,257)(H,199,256)(H,200,260)(H,201,243)(H,202,239)(H,203,250)(H,204,251)(H,205,261)(H,206,240)(H,207,252)(H,208,258)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,262,263)(H4,171,172,174)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,126-,127-,128-,129-,130-,131-,132-/m0/s1
InChIKey	CILIXQOJUNDIDU-ASQIGDHWSA-N

Wikipedia

Roles Classification

Chemical Roles:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	glucagon-like peptide-2 receptor agonist An agonist that binds to and activates glucagon-like peptide-2 (GLP-2) receptors. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:	protective agent Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent. renoprotective agent Any compound that is able to prevent damage to the kidneys. anticholesteremic drug A substance used to lower plasma cholesterol levels.

ChEBI Ontology

Outgoing Relation(s)
	teduglutide (CHEBI:72305) has role anti-HIV agent (CHEBI:64946)
	teduglutide (CHEBI:72305) has role anticholesteremic drug (CHEBI:35821)
	teduglutide (CHEBI:72305) has role antioxidant (CHEBI:22586)
	teduglutide (CHEBI:72305) has role glucagon-like peptide-2 receptor agonist (CHEBI:72311)
	teduglutide (CHEBI:72305) has role metabolite (CHEBI:25212)
	teduglutide (CHEBI:72305) has role protective agent (CHEBI:50267)
	teduglutide (CHEBI:72305) has role renoprotective agent (CHEBI:231911)
	teduglutide (CHEBI:72305) is a polypeptide (CHEBI:15841)

IUPAC Name
L-histidylglycyl-L-α-aspartylglycyl-L-seryl-L-phenylalanyl-L-seryl-L-α-aspartyl-L-α-glutamyl-L-methionyl-L-asparaginyl-L-threonyl-L-isoleucyl-L-leucyl-L-α-aspartyl-L-asparaginyl-L-leucyl-L-alanyl-L-alanyl-L-arginyl-L-α-aspartyl-L-phenylalanyl-L-isoleucyl-L-asparaginyl-L-tryptophyl-L-leucyl-L-isoleucyl-L-glutaminyl-L-threonyl-L-lysyl-L-isoleucyl-L-threonyl-L-aspartic acid

INNs	Source
teduglutida	WHO MedNet
teduglutide	KEGG DRUG

Synonyms	Source
ALX 0600	ChemIDplus
ALX-0600	ChemIDplus
Glucagon-like peptide II (2-glycine) (human)	ChemIDplus
(Gly2)GLP-2	ChemIDplus
Gly(2)-GLP-2	ChemIDplus
HGDGSFSDEMNTILDNLAARDFINWLIQTKITD	ChEBI

Brand Names	Source
Gattex	ChemIDplus
Gattex kit	ChEMBL

Manual Xrefs	Databases
4718	DrugCentral
D06053	KEGG DRUG
Teduglutide	Wikipedia
US2006135424	Patent
US2011172152	Patent
WO2007065147	Patent

Registry Numbers	Sources
Reaxys:15460110	Reaxys
CAS:197922-42-2	ChemIDplus
CAS:197922-42-2	KEGG DRUG

Citations