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CHEBI:219069 - Tyrobetaine

ChEBI IDCHEBI:219069
ChEBI NameTyrobetaine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H43N4O8
Net Charge+1
Average Mass587.694
Monoisotopic Mass587.30754
SMILESCC(C)C(O)C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)[N+](C)(C)C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C30H42N4O8/c1-17(2)26(37)25(29(40)31-18(3)30(41)42)33-27(38)23(15-19-7-11-21(35)12-8-19)32-28(39)24(34(4,5)6)16-20-9-13-22(36)14-10-20/h7-14,17-18,23-26,37H,15-16H2,1-6H3,(H5-,31,32,33,35,36,38,39,40,41,42)/p+1/t18-,23-,24?,25?,26?/m0/s1
InChIKeyQFTDNMMLWLPCOY-VBRPOLMRSA-O
Species of MetaboliteComponentSourceComments
Streptomycesspecies NRRL WC-3773 (ncbitaxon:1463936) - PubMed (29510029)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tyrobetaine (CHEBI:219069) is a peptide (CHEBI:16670)
IUPAC Name 
[1-[[(2S)-1-[[1-[[(1S)-1-carboxyethyl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-trimethylazanium