Histidinohydroxylysinonorleucine (CHEBI:230046)

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CHEBI:230046 - Histidinohydroxylysinonorleucine

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ChEBI ID	CHEBI:230046
ChEBI Name	Histidinohydroxylysinonorleucine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H32N6O7
Net Charge	0
Average Mass	444.489
Monoisotopic Mass	444.23325
SMILES	CCCC[C@H](NN(N[C@@H](Cc1cncn1)C(=O)O)[C@@H](CC[C@@H](O)CN)C(=O)O)C(=O)O
InChI	InChI=1S/C18H32N6O7/c1-2-3-4-13(16(26)27)22-24(15(18(30)31)6-5-12(25)8-19)23-14(17(28)29)7-11-9-20-10-21-11/h9-10,12-15,22-23,25H,2-8,19H2,1H3,(H,20,21)(H,26,27)(H,28,29)(H,30,31)/t12-,13+,14+,15+/m1/s1
InChIKey	DDELKTCDPMLGSF-QPSCCSFWSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

ChEBI Ontology

Outgoing Relation(s)
	Histidinohydroxylysinonorleucine (CHEBI:230046) is a histidine derivative (CHEBI:24599)

IUPAC Name
(2S,5R)-6-amino-2-[[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-[[(1S)-1-carboxypentyl]amino]amino]-5-hydroxyhexanoic acid

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65792384	ChemSpider