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CHEBI:180559 - [2-[[1-[[1-[2-[(1-Carboxy-2-hydroxypropyl)carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium

ChEBI IDCHEBI:180559
ChEBI Name[2-[[1-[[1-[2-[(1-Carboxy-2-hydroxypropyl)carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N5O9
Net Charge+1
Average Mass600.649
Monoisotopic Mass600.26640
SMILESCC(O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C[NH3+])C(=O)O
InChIInChI=1S/C29H37N5O9/c1-16(35)25(29(42)43)33-27(40)23-3-2-12-34(23)28(41)22(14-18-6-10-20(37)11-7-18)32-26(39)21(31-24(38)15-30)13-17-4-8-19(36)9-5-17/h4-11,16,21-23,25,35-37H,2-3,12-15,30H2,1H3,(H,31,38)(H,32,39)(H,33,40)(H,42,43)/p+1
InChIKeySBTRTGWXCQVLKM-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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-[[1-[[1-[2-[(1-Carboxy-2-hydroxypropyl)carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium (CHEBI:180559) is a peptide (CHEBI:16670)
IUPAC Name 
[2-[[1-[[1-[2-[(1-carboxy-2-hydroxypropyl)carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium
Manual XrefsDatabases
21467867ChemSpider
HMDB0059793HMDB