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phytochromobilin

MNXM114574 is deprecated and replaced by MNXM1100865
PropertiesImage
MNX_IDMNXM1100865 Image of MNXM1100865
referencechebi:26116
formulaC33H36N4O6
global charge0
mol weight584.673
InChIKeyDKMLMZVDTGOEGU-MKLOKSPTSA-N
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-/m1/s1
SMILESC=CC1=C(C)/C(=C/C2=N/C(=C\C3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)[C@H](C)C4=CC)N3)C(CCC(=O)O)=C2C)NC1=O
MNX internals
InChI (mnx)InChI=1/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-/m1/s1 Image of MNXM1100865
SMILES (mnx)[CH3:1]/[CH:7]=[C:20]1\[C@@H:19]([CH3:6])[C:32]([OH:42])=[N:37]\[C:27]1=[CH:14]/[C:25]1=[C:18]([CH3:5])[C:23]([CH2:10][CH2:12][C:31](=[O:40])[OH:41])=[C:29](/[CH:15]=[C:28]2/[C:22]([CH2:9][CH2:11][C:30](=[O:38])[OH:39])=[C:17]([CH3:4])[C:24](/[CH:13]=[C:26]3/[C:16]([CH3:3])=[C:21]([CH:8]=[CH2:2])[C:33]([OH:43])=[N:36]3)=[N:34]2)[NH:35]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:26116
chebi:26116
DKMLMZVDTGOEGU-MKLOKSPTSA-N 		phytochromobilin
3-{2-[(Z)-{3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-ylidene}methyl]-5-[(Z)-{(3Z,4R)-3-[(1Z)-ethylidene]-4-methyl-5-oxopyrrolidin-2-ylidene}methyl]-4-methyl-1H-pyrrol-3-yl}propanoic acid

metacyc.compound:CPD-15004
metacycM:CPD-15004
seed.compound:cpd35304
seedM:cpd35304
DKMLMZVDTGOEGU-UAWLBFNISA-L 		(3E)-phytochromobilin

CHEBI:146182
chebi:146182
DKMLMZVDTGOEGU-UAWLBFNISA-N 		(3E)-phytochromobilin
3-(2-[(Z)-{3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-ylidene}methyl]-5-{(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid

metacyc.compound:Phytochromobilins
metacycM:Phytochromobilins
DKMLMZVDTGOEGU-MKLOKSPTSA-L 		a phytochromobilin

CHEBI:189064
chebi:189064
DKMLMZVDTGOEGU-MKLOKSPTSA-L 		phytochromobilin
phytochromobilin(2-)

seedM:M_cpd35304 		secondary/obsolete/fantasy identifier