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CHEBI:185373 - 2-amino-4-{[2-({4-[3-(carboxymethyl)-4,6-dihydroxy-2-methoxyphenyl]-3-hydroxy-2-methylbutan-2-yl}sulfanyl)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

ChEBI IDCHEBI:185373
ChEBI Name2-amino-4-{[2-({4-[3-(carboxymethyl)-4,6-dihydroxy-2-methoxyphenyl]-3-hydroxy-2-methylbutan-2-yl}sulfanyl)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35N3O12S
Net Charge0
Average Mass589.620
Monoisotopic Mass589.19414
SMILESCOc1c(CC(=O)O)c(O)cc(O)c1CC(O)C(C)(C)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C24H35N3O12S/c1-24(2,17(30)6-11-15(28)8-16(29)12(7-19(32)33)21(11)39-3)40-10-14(22(36)26-9-20(34)35)27-18(31)5-4-13(25)23(37)38/h8,13-14,17,28-30H,4-7,9-10,25H2,1-3H3,(H,26,36)(H,27,31)(H,32,33)(H,34,35)(H,37,38)
InChIKeyRZQHGPRGZNSTOU-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-{[2-({4-[3-(carboxymethyl)-4,6-dihydroxy-2-methoxyphenyl]-3-hydroxy-2-methylbutan-2-yl}sulfanyl)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid (CHEBI:185373) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-[4-[3-(carboxymethyl)-4,6-dihydroxy-2-methoxyphenyl]-3-hydroxy-2-methylbutan-2-yl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0125503HMDB