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CHEBI:230820 - 2-[4,7,10-Tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

ChEBI IDCHEBI:230820
ChEBI Name2-[4,7,10-Tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42N6O11
Net Charge0
Average Mass626.664
Monoisotopic Mass626.29116
SMILESO=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)C(CCCCNC(=O)CCN2C(=O)C=CC2=O)CN(CC(=O)O)CC1
InChIInChI=1S/C27H42N6O11/c34-21(6-8-33-22(35)4-5-23(33)36)28-7-2-1-3-20-15-31(18-26(41)42)12-11-29(16-24(37)38)9-10-30(17-25(39)40)13-14-32(20)19-27(43)44/h4-5,20H,1-3,6-19H2,(H,28,34)(H,37,38)(H,39,40)(H,41,42)(H,43,44)
InChIKeyYSFRJBOYSGQQJZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
2-[4,7,10-Tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CHEBI:230820) has functional parent tetracarboxylic acid (CHEBI:35742)
2-[4,7,10-Tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CHEBI:230820) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[4,7,10-tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Manual XrefsDatabases
128530465ChemSpider
HMDB0250558HMDB