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CHEBI:193931 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{[8-(1,2-dihydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl]oxy}-3-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:193931
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{[8-(1,2-dihydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl]oxy}-3-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H37N3O13S
Net Charge0
Average Mass667.690
Monoisotopic Mass667.20471
SMILESCC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(O)CO
InChIInChI=1S/C29H37N3O13S/c1-13(14(2)46-11-17(26(38)31-10-20(35)36)32-19(34)8-6-16(30)27(39)40)28(41)45-24-22-18(43-25(24)29(3,42)12-33)7-4-15-5-9-21(37)44-23(15)22/h4-5,7,9,13-14,16-17,24-25,33,42H,6,8,10-12,30H2,1-3H3,(H,31,38)(H,32,34)(H,35,36)(H,39,40)
InChIKeyYLVGWHMRVJRXNI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
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-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{[8-(1,2-dihydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl]oxy}-3-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:193931) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-[4-[[8-(1,2-dihydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl]oxy]-3-methyl-4-oxobutan-2-yl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid