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CHEBI:185208 - 2-({2-[(2-{[(1-{2-[(2-amino-1-hydroxyethylidene)amino]-3-hydroxypropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-4-(methylsulfanyl)butylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-3-methylbutanimidic acid

ChEBI IDCHEBI:185208
ChEBI Name2-({2-[(2-{[(1-{2-[(2-amino-1-hydroxyethylidene)amino]-3-hydroxypropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-4-(methylsulfanyl)butylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-3-methylbutanimidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H45N7O7S
Net Charge0
Average Mass635.788
Monoisotopic Mass635.31012
SMILESCSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C29H45N7O7S/c1-17(2)24(25(31)39)35-27(41)20(14-18-8-5-4-6-9-18)34-26(40)19(11-13-44-3)33-28(42)22-10-7-12-36(22)29(43)21(16-37)32-23(38)15-30/h4-6,8-9,17,19-22,24,37H,7,10-16,30H2,1-3H3,(H2,31,39)(H,32,38)(H,33,42)(H,34,40)(H,35,41)
InChIKeyCVXWKHQDFPDLTM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-({2-[(2-{[(1-{2-[(2-amino-1-hydroxyethylidene)amino]-3-hydroxypropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-4-(methylsulfanyl)butylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-3-methylbutanimidic acid (CHEBI:185208) is a oligopeptide (CHEBI:25676)
IUPAC Name 
1-[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]-N-[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methylsulanyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
HMDB0033242HMDB
28676439ChemSpider