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hydroxymethylbilane

PropertiesImage
MNX_IDMNXM547 Image of MNXM547
referencechebi:57845
formulaC40H38N4O17
global charge-8
mol weight846.755
InChIKeyWDFJYRZCZIUBPR-UHFFFAOYSA-F
InChIInChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/p-8
SMILESO=C([O-])CCc1c[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)[O-])c4CCC(=O)[O-])c(CC(=O)[O-])c3CCC(=O)[O-])c(CC(=O)[O-])c2CCC(=O)[O-])c1CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61) Image of MNXM547
SMILES (mnx)[C:1]1([CH2:11][C:10]2=[C:15]([O:47][O:49](=[O:48])[OH:50])[C:18]([CH2:19][CH2:20][C:24]([CH3:23])=[CH2:25])=[CH:9][CH2:14]2)=[C:28]([CH2:27][CH2:29][C:31]([CH3:30])=[CH2:32])[C:16]([O:51][O:53](=[O:52])[OH:54])=[C:2]([CH2:3][C:4]2=[C:33]([O:55][O:56][O:58]([OH:57])=[O:59])[C:17]([CH2:40][N:41]([NH2:42])=[NH:43])=[C:5]([CH2:6][C:7]3=[C:34]([CH2:35][CH2:36][C:38]([CH3:37])=[CH2:39])[C:21]([CH2:22][N:44](=[O:45])[OH:46])=[C:8]([O:60][OH:61])[CH2:13]3)[CH2:12]2)[CH2:26]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-189449
reactomeM:R-ALL-189449
CHEBI:57845
chebi:57845
WDFJYRZCZIUBPR-UHFFFAOYSA-F 		hydroxymethylbilane
3,8,13,18-tetrakis(carboxylatomethyl)-19-(hydroxymethyl)bilane-2,7,12,17-tetrapropanoate
preuroporphyrinogen octaanion
preuroporphyrinogen(8-)

bigg.metabolite:hmbil
biggM:hmbil
sabiork.compound:5362
sabiorkM:5362
kegg.compound:C01024
keggC:C01024
WDFJYRZCZIUBPR-UHFFFAOYSA-F
WDFJYRZCZIUBPR-UHFFFAOYSA-N 		Hydroxymethylbilane
hmdb:HMDB0001137
WDFJYRZCZIUBPR-UHFFFAOYSA-N 		Hydroxymethylbilane
(Hydroxymethyl)bilane
3,8,13,18-Tetrakis(carboxymethyl)-19-(hydroxymethyl)bilane-2,7,12,17-tetrapropanoate
3,8,13,18-Tetrakis(carboxymethyl)-19-(hydroxymethyl)bilane-2,7,12,17-tetrapropanoic acid
3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoate
3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid
3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropionic acid
3-(5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl}-2-{[4-(2-carboxyethyl)-5-{[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl)propanoic acid
3-[2-[[4-(2-Carboxyethyl)-5-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-3-yl]propanoate
3-[2-[[4-(2-Carboxyethyl)-5-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-3-yl]propanoic acid
Preuroporphyrinogen

vmhM:hmbil
vmhM:hmbil
vmhmetabolite:hmbil
vmhmetabolite:hmbil
WDFJYRZCZIUBPR-UHFFFAOYSA-F 		Hydroxymethylbilane
3-(5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl}-2-{[4-(2-carboxyethyl)-5-{[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-3-(carboxy

seed.compound:cpd00755
seedM:cpd00755
WDFJYRZCZIUBPR-UHFFFAOYSA-F 		Hydroxymethylbilane
hmbil
hydroxymethylbilane
preuroporphyrinogen

CHEBI:16645
chebi:16645
WDFJYRZCZIUBPR-UHFFFAOYSA-N 		preuroporphyrinogen
(hydroxymethyl)bilane
3,8,13,18-tetrakis(carboxymethyl)-19-(hydroxymethyl)bilane-2,7,12,17-tetrapropanoic acid
3,8,13,18-tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid
Hydroxymethylbilane

metacyc.compound:HYDROXYMETHYLBILANE
metacycM:HYDROXYMETHYLBILANE
WDFJYRZCZIUBPR-UHFFFAOYSA-F 		preuroporphyrinogen
hydroxymethylbilane

hmdb:HMDB01137
chebi:14423
chebi:24716
chebi:5809
biggM:M_hmbil
keggC:M_C01024
seedM:M_cpd00755
vmhM:M_hmbil 		secondary/obsolete/fantasy identifier