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biotripyrrin-a

MNXM44339 is deprecated and here replaced by MNXM1369524
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369524 Image of MNXM1369524
referencechebi:142161
formulaC25H27N3O6
global charge0
mol weight465.506
InChIKeyDXWHHYOVLWSVQD-UHFFFAOYSA-N
InChIInChI=1S/C25H27N3O6/c1-5-15-13(3)24(33)27-19(15)10-18-12(2)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)25(34)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,33)(H,28,34)(H,29,30)(H,31,32)
SMILESC=CC1=C(C)C(=O)NC1=CC1=C(C)C(CCC(=O)O)=C(C=C2NC(=O)C(C)=C2CCC(=O)O)N1
MNX internals
InChI (mnx)InChI=1/C25H27N3O6/c1-5-15-13(3)24(33)27-19(15)10-18-12(2)16(6-8-22(29)30)20(26-18)11-21-17(7-9-23(31)32)14(4)25(34)28-21/h5,10-11,26H,1,6-9H2,2-4H3,(H,27,33)(H,28,34)(H,29,30)(H,31,32)/b19-10?,21-11? Image of MNXM1369524
SMILES (mnx)[CH2:1]=[CH:5][C:15]1=[C:13]([CH3:3])[C:24](=[O:33])[NH:27][C:19]1=[CH:10][C:18]1=[C:12]([CH3:2])[C:16]([CH2:6][CH2:8][C:22](=[O:29])[OH:30])=[C:20]([CH:11]=[C:21]2[C:17]([CH2:7][CH2:9][C:23](=[O:31])[OH:32])=[C:14]([CH3:4])[C:25](=[O:34])[NH:28]2)[NH:26]1
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:142161
chebi:142161
DXWHHYOVLWSVQD-UHFFFAOYSA-N 		biotripyrrin-a
1,14,15,17-tetrahydro-2,7,13-trimethyl-1,14-dioxo-3-vinyl-16H-tripyrrin-8,12-dipropionic acid
3-[2-({3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-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-ethenyl-4-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
3-[2-({3-(2-carboxyethyl)-5-[(4-methyl-5-oxo-3-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