Sialorphin (CHEBI:230815)

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CHEBI:230815 - Sialorphin

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ChEBI ID	CHEBI:230815
ChEBI Name	Sialorphin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H40N10O10
Net Charge	0
Average Mass	652.666
Monoisotopic Mass	652.29289
SMILES	NC(N)=NCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChI	InChI=1S/C26H40N10O10/c27-14(3-1-7-31-26(28)29)21(41)33-15(5-6-19(37)38)22(42)34-16(9-13-11-30-12-32-13)23(43)35-17(10-20(39)40)24(44)36-8-2-4-18(36)25(45)46/h11-12,14-18H,1-10,27H2,(H,30,32)(H,33,41)(H,34,42)(H,35,43)(H,37,38)(H,39,40)(H,45,46)(H4,28,29,31)/t14-,15-,16-,17-,18-/m0/s1
InChIKey	RHFWFWRXHPWFHP-ATIWLJMLSA-N

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

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Sialorphin (CHEBI:230815) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

Manual Xrefs	Databases
32817965	ChemSpider