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CHEBI:184900 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-oxobutyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:184900
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-oxobutyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29N3O11S
Net Charge0
Average Mass567.573
Monoisotopic Mass567.15228
SMILESCOc1cc2oc(=O)ccc2cc1C(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)C(C)=O
InChIInChI=1S/C24H29N3O11S/c1-11(28)21(33)22(13-7-12-3-6-20(32)38-16(12)8-17(13)37-2)39-10-15(23(34)26-9-19(30)31)27-18(29)5-4-14(25)24(35)36/h3,6-8,14-15,21-22,33H,4-5,9-10,25H2,1-2H3,(H,26,34)(H,27,29)(H,30,31)(H,35,36)
InChIKeyBUCCZVGCDKLZPZ-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-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-oxobutyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:184900) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-[2-hydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-oxobutyl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0128968HMDB