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CHEBI:39601 - 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID

Default Structure
ChEBI IDCHEBI:39601
ChEBI Name6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
Stars
DownloadsMolfile
FormulaC22H26N2O4
Net Charge0
Average Mass382.460
Monoisotopic Mass382.18926
SMILES[H]/N=C(/N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[C@@]1([H])c2c([H])c(-c3c([H])c([H])c(O[H])c([H])c3[H])c([H])c([H])c2C([H])([H])[C@]1([H])O[H]
InChIInChI=1S/C22H26N2O4/c23-20(24)4-2-1-3-17(22(27)28)21-18-11-14(5-6-15(18)12-19(21)26)13-7-9-16(25)10-8-13/h5-11,17,19,21,25-26H,1-4,12H2,(H3,23,24)(H,27,28)/t17-,19+,21+/m1/s1
InChIKeyZSRRBAKATXAISL-LMNJBCLMSA-N
ChEBI Ontology
Outgoing Relation(s)
6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID (CHEBI:39601) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R)-7-amino-2-[(1S,2S)-2-hydroxy-6-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoic acidPDBeChem
6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACIDPDBeChem
Manual XrefsDatabases
166PDBeChem