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biotripyrrin-b

MNXM44340 is deprecated and here replaced by MNXM1369526
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369526 Image of MNXM1369526
referencechebi:142162
formulaC25H27N3O6
global charge0
mol weight465.506
InChIKeyPMIYFUGIVLGYIZ-UHFFFAOYSA-N
InChIInChI=1S/C25H27N3O6/c1-5-15-12(2)19(27-25(15)34)10-18-13(3)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)24(33)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,34)(H,28,33)(H,29,30)(H,31,32)
SMILESC=CC1=C(C)C(=CC2=C(C)C(CCC(=O)O)=C(C=C3NC(=O)C(C)=C3CCC(=O)O)N2)NC1=O
MNX internals
InChI (mnx)InChI=1/C25H27N3O6/c1-5-15-12(2)19(27-25(15)34)10-18-13(3)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)24(33)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,34)(H,28,33)(H,29,30)(H,31,32)/b19-10?,21-11? Image of MNXM1369526
SMILES (mnx)[CH2:1]=[CH:5][C:15]1=[C:12]([CH3:2])[C:19](=[CH:10][C:18]2=[C:13]([CH3:3])[C:16]([CH2:6][CH2:8][C:22](=[O:29])[OH:30])=[C:20]([CH:11]=[C:21]3[C:17]([CH2:7][CH2:9][C:23](=[O:31])[OH:32])=[C:14]([CH3:4])[C:24](=[O:33])[NH:28]3)[NH:26]2)[NH:27][C:25]1=[O:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142162
chebi:142162
PMIYFUGIVLGYIZ-UHFFFAOYSA-N 		biotripyrrin-b
1,14,15,17-tetrahydro-3,7,13-trimethyl-1,14-dioxo-2-vinyl-16H-tripyrrin-8,12-dipropionic acid
3-[2-({3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methylene)-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid
3-[2-({3-(2-carboxyethyl)-5-[(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid
3-[2-({3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid