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uroporphyrinogen III

PropertiesImage
MNX_IDMNXM414 Image of MNXM414
referencechebi:57308
formulaC40H36N4O16
global charge-8
mol weight828.74
InChIKeyHUHWZXWWOFSFKF-UHFFFAOYSA-F
InChIInChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/p-8
SMILESO=C([O-])CCc1c2[nH]c(c1CC(=O)[O-])Cc1[nH]c(c(CC(=O)[O-])c1CCC(=O)[O-])Cc1[nH]c(c(CC(=O)[O-])c1CCC(=O)[O-])Cc1[nH]c(c(CCC(=O)[O-])c1CC(=O)[O-])C2
MNX internals
InChI (mnx)InChI=1/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60) Image of MNXM414
SMILES (mnx)[C:1]12=[C:2]([CH2:25][CH2:27][C:28]([CH3:30])=[CH2:31])[C:5]([CH2:26][O:46]([OH:47])=[O:48])=[C:6]([CH2:3]1)[CH2:8][C:11]1=[C:14]([CH2:33][CH2:35][C:38]([CH3:39])=[CH2:40])[C:17]([O:57][O:58](=[O:59])[OH:60])=[C:18]([CH2:15]1)[CH2:20][C:23]1=[C:24]([NH:41][NH:42][N:43]([NH2:44])=[O:45])[C:21]([O:53][O:54]([OH:55])=[O:56])=[C:19]([CH2:16][C:13]3=[C:12]([O:49][O:50]([OH:51])=[O:52])[C:9]([CH2:29][CH2:32][C:34]([CH3:36])=[CH2:37])=[C:7]([CH2:4]2)[CH2:10]3)[CH2:22]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 13
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-189407
reactomeM:R-ALL-189407
CHEBI:57308
chebi:57308
HUHWZXWWOFSFKF-UHFFFAOYSA-F 		uroporphyrinogen III
3,3',3'',3'''-[3,8,13,17-tetrakis(carboxylatomethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate
3,8,13,17-tetrakis(carboxylatomethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoate
uroporphyrinogen III(8-)

bigg.metabolite:uppg3
biggM:uppg3
kegg.compound:C01051
keggC:C01051
HUHWZXWWOFSFKF-UHFFFAOYSA-F
HUHWZXWWOFSFKF-UHFFFAOYSA-N 		Uroporphyrinogen III
hmdb:HMDB0001086
HUHWZXWWOFSFKF-UHFFFAOYSA-N 		Uroporphyrinogen III
3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-2,7,12,18-porphinetetrapropionate
3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-2,7,12,18-porphinetetrapropionic acid
3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphine-2,7,12,18-tetrapropanoate
3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphine-2,7,12,18-tetrapropanoic acid
3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoate
3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoic acid
3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionate
3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionic acid
3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid
Uro'gen III
Urogen III
Uroporphyrinogen-III
Uroporphyrinogens
uroporphyrinogen-III

vmhM:uppg3
vmhM:uppg3
vmhmetabolite:uppg3
vmhmetabolite:uppg3
HUHWZXWWOFSFKF-UHFFFAOYSA-F 		Uroporphyrinogen III
3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic aci

sabiork.compound:5373
sabiorkM:5373
HUHWZXWWOFSFKF-UHFFFAOYSA-N 		Uroporphyrinogen III
Urogen III

seed.compound:cpd00774
seedM:cpd00774
HUHWZXWWOFSFKF-UHFFFAOYSA-F 		UroporphyrinogenIII
Uroporphyrinogen III
uppg3
uroporphyrinogen III
uroporphyrinogen-III
uroporphyrinogen-iii

CHEBI:15437
chebi:15437
HUHWZXWWOFSFKF-UHFFFAOYSA-N 		uroporphyrinogen III
3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphine-2,7,12,18-tetrapropanoic acid
3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionic acid
Uroporphyrinogen III
uro'gen III

metacyc.compound:UROPORPHYRINOGEN-III
metacycM:UROPORPHYRINOGEN-III
HUHWZXWWOFSFKF-UHFFFAOYSA-F 		uroporphyrinogen-III
uroporphyrinogen III

hmdb:HMDB01086
chebi:15300
chebi:27257
chebi:9905
biggM:M_uppg3
keggC:M_C01051
seedM:M_cpd00774
vmhM:M_uppg3 		secondary/obsolete/fantasy identifier