Kentsin (CHEBI:171721)

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CHEBI:171721 - Kentsin

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ChEBI ID	CHEBI:171721
ChEBI Name	Kentsin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H40N8O6
Net Charge	0
Average Mass	500.601
Monoisotopic Mass	500.30708
SMILES	C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O
InChI	InChI=1S/C21H40N8O6/c1-12(30)16(23)19(33)29-11-5-8-15(29)18(32)27-13(7-4-10-26-21(24)25)17(31)28-14(20(34)35)6-2-3-9-22/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13+,14+,15+,16+/m1/s1
InChIKey	OTAMFXXAGYBAQL-YXMSTPNBSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	Pooled sample (NCIT:C45910)	MetaboLights (MTBLS2128)
	blood plasma (BTO:0000131)	MetaboLights (MTBLS2128)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Kentsin (CHEBI:171721) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Manual Xrefs	Databases
149956	ChemSpider
HMDB0005776	HMDB

Registry Numbers	Sources
CAS:56767-30-7	ChemIDplus