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CHEBI:171682 - Rigin

ChEBI IDCHEBI:171682
ChEBI NameRigin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32N8O6
Net Charge0
Average Mass456.504
Monoisotopic Mass456.24448
SMILESNCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C18H32N8O6/c19-9-14(28)24-10(5-6-13(20)27)16(30)26-8-2-4-12(26)15(29)25-11(17(31)32)3-1-7-23-18(21)22/h10-12H,1-9,19H2,(H2,20,27)(H,24,28)(H,25,29)(H,31,32)(H4,21,22,23)/t10-,11-,12-/m0/s1
InChIKeyUEJYSALTSUZXFV-SRVKXCTJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rigin (CHEBI:171682) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
HMDB0005771HMDB
113164ChemSpider
Registry NumbersSources
CAS:77727-17-4ChemIDplus