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(3Z)-phytochromobilin

PropertiesImage
MNX_IDMNXM733867 Image of MNXM733867
referencechebi:57439
formulaC33H34N4O6
global charge-2
mol weight582.657
InChIKeyDKMLMZVDTGOEGU-AIKFXVFZSA-L
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)/p-2/b20-7-,26-13-,27-14-,28-15-/t19-/m1/s1
SMILESC=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)[C@H](C)\C4=C\C)c(C)c3CCC(=O)[O-])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 MNXM733867
SMILES (mnx)[CH:1](\[C:2]1=[CH:4]/[C:7](=[CH:8]\[C:9]2=[C:11]([CH2:26][CH2:27][C:28]([CH3:29])=[CH2:30])[C:13]([OH:41])=[C:12](/[CH:14]=[C:15]3/[CH2:16][C:17](=[CH2:24])[C@H:18]([OH:40])/[C:19]3=[O:38]/[OH:39])[CH2:10]2)[C:6]([CH2:31][CH2:32][C:33](=[NH:34])[NH2:35])=[C:5]1[OH:42])=[C:3]1\[CH2:21][C:20](=[CH2:25])[C:23]([N:36]=[NH:37])=[C:22]1[OH:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57439
chebi:57439
DKMLMZVDTGOEGU-AIKFXVFZSA-L 		(3Z)-phytochromobilin
(3Z)-phytochromobilin(2-)
3-(2-[(Z)-{3-(2-carboxylatoethyl)-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-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoate

kegg.compound:C05913
keggC:C05913
DKMLMZVDTGOEGU-AIKFXVFZSA-N 		(3Z)-Phytochromobilin

seed.compound:cpd03509
seedM:cpd03509
DKMLMZVDTGOEGU-AIKFXVFZSA-L 		(3Z)-Phytochromobilin
(3Z)-phytochromobilin

metacyc.compound:3Z-PHYTOCHROMOBILIN
metacycM:3Z-PHYTOCHROMOBILIN
DKMLMZVDTGOEGU-AIKFXVFZSA-L 		(3Z)-phytochromobilin

CHEBI:15619
chebi:15619
DKMLMZVDTGOEGU-AIKFXVFZSA-N 		(3Z)-phytochromobilin
(3Z)-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-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid

chebi:10897
chebi:225
keggC:M_C05913
seedM:M_cpd03509 		secondary/obsolete/fantasy identifier