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uroporphyrin III

MNXM6473 is deprecated and here replaced by MNXM739177
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739177 Image of MNXM739177
referencechebi:15436
formulaC40H38N4O16
global charge0
mol weight830.756
InChIKeyVZVFNUAIRVUCEW-UJJXFSCMSA-N
InChIInChI=1S/C40H38N4O16/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/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
SMILESO=C(O)CCC1=C2/C=C3\N=C(/C=C4\N/C(=C\C5=N/C(=C\C(=C1CC(=O)O)N2)C(CC(=O)O)=C5CCC(=O)O)C(CCC(=O)O)=C4CC(=O)O)C(CCC(=O)O)=C3CC(=O)O
MNX internals
InChI (mnx)InChI=1/C40H38N4O16/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/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- Image of MNXM739177
SMILES (mnx)[CH2:1]([CH2:5][C:33](=[O:45])[OH:46])[C:17]1=[C:21]([CH2:9][C:37](=[O:53])[OH:54])/[C:29]2=[CH:14]/[C:27]3=[N:43]/[C:30](=[CH:15]\[C:28]4=[C:20]([CH2:4][CH2:8][C:36](=[O:51])[OH:52])[C:24]([CH2:12][C:40](=[O:59])[OH:60])=[C:32](/[CH:16]=[C:31]5/[C:23]([CH2:11][C:39](=[O:57])[OH:58])=[C:18]([CH2:2][CH2:6][C:34](=[O:47])[OH:48])[C:26](=[N:42]5)/[CH:13]=[C:25]/1[NH:41]2)[NH:44]4)[C:22]([CH2:10][C:38](=[O:55])[OH:56])=[C:19]3[CH2:3][CH2:7][C:35](=[O:49])[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15436
chebi:15436
VZVFNUAIRVUCEW-UJJXFSCMSA-N 		uroporphyrin III
3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrapropanoic acid
3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrapropionic acid
Uroporphyrin III
uroporphyrin 3

kegg.compound:C02469
keggC:C02469
VZVFNUAIRVUCEW-UJJXFSCMSA-N 		Uroporphyrin III
hmdb:HMDB0000916
VZVFNUAIRVUCEW-UJJXFSCMSA-N 		Uroporphyrin III
3,8,13,17-Tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrapropanoate
3,8,13,17-Tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrapropanoic acid
3,8,13,17-Tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrapropionate
3,8,13,17-Tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrapropionic acid
3,8,13,17-Tetramethyl-2,7,12,18-porphinetetrapropionate
3,8,13,17-Tetramethyl-2,7,12,18-porphinetetrapropionic acid
3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoic acid
Coproporphyrin III
Uroporphyrin 3

vmhM:C02469
vmhmetabolite:C02469
VZVFNUAIRVUCEW-UJJXFSCMSA-F 		Uroporphyrin III
3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-unde

metacyc.compound:UROPORPHYRIN_III
metacycM:UROPORPHYRIN_III
VZVFNUAIRVUCEW-UJJXFSCMSA-F 		uroporphyrin III
3,8,13,17-tetrakis(carboxymethyl)-21H,23H-prophine-2,7,12,18...

CHEBI:167479
chebi:167479
VZVFNUAIRVUCEW-UJJXFSCMSA-F 		uroporphyrin III
uroporphyrin III(8-)

hmdb:HMDB00916
chebi:15299
chebi:27255
chebi:9903
keggC:M_C02469
vmhM:M_C02469 		secondary/obsolete/fantasy identifier