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CHEBI:43669 - 3-{(2Z)-2-{[3-(2-carboxyethyl)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methylene}-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-3-yl}propanoic acid

ChEBI IDCHEBI:43669
ChEBI Name3-{(2Z)-2-{[3-(2-carboxyethyl)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methylene}-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-3-yl}propanoic acid
Stars
ASCII Name3-{(2Z)-2-{[3-(2-carboxyethyl)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methylene}-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-3-yl}propanoic acid
Last Modified9 October 2007
DownloadsMolfile
FormulaC33H36N4O6
Net Charge0
Average Mass584.673
Monoisotopic Mass584.26348
SMILES[H]OC(=O)C([H])([H])C([H])([H])C1=C(C([H])([H])[H])C(/C([H])=C2/C(C([H])([H])[H])=C(C([H])=C([H])[H])C(=O)N2[H])=N/C1=C(/[H])c1c(C([H])([H])C([H])([H])C(=O)O[H])c(C([H])([H])[H])c(/C([H])=C2C(=C(\[H])C([H])([H])[H])/[C@]([H])(C([H])([H])[H])C(=O)N/2[H])n1[H]
InChIInChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13-,27-14-,28-15-/t19-/m0/s1
InChIKeyDKMLMZVDTGOEGU-ISEYCTJISA-N
ChEBI Ontology
Outgoing Relation(s)
3-{(2Z)-2-{[3-(2-carboxyethyl)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methylene}-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-3-yl}propanoic acid (CHEBI:43669) has functional parent propionic acid (CHEBI:30768)
3-{(2Z)-2-{[3-(2-carboxyethyl)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methylene}-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-3-yl}propanoic acid (CHEBI:43669) is a pyrroles (CHEBI:26455)
Synonym  Source
3-{(2Z)-2-{[3-(2-CARBOXYETHYL)-5-{(Z)-[(3E,4S)-3-ETHYLIDENE-4-METHYL-5-OXOPYRROLIDIN-2-YLIDENE]METHYL}-4-METHYL-1H-PYRROL-2-YL]METHYLENE}-4-METHYL-5-[(Z)-(3-METHYL-5-OXO-4-VINYL-1,5-DIHYDRO-2H-PYRROL-2-YLIDENE)METHYL]-2H-PYRROL-3-YL}PROPANOIC ACIDPDBeChem
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