MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

protoporphyrinogen IX

	Properties	Image
MNX_ID	MNXM351
reference	chebi:57307
formula	C₃₄H₃₈N₄O₄
global charge	-2
mol weight	566.702
InChIKey	UHSGPDMIQQYNAX-UHFFFAOYSA-L
InChI	InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)/p-2
SMILES	C=CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(CCC(=O)[O-])=C(CC5=C(CCC(=O)[O-])C(C)=C(CC(=C1C)N2)N5)N4)N3

MNX internals

InChI (mnx)	InChI=1/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)
SMILES (mnx)	[CH2:1]=[CH:7][C:21]1=[C:29]2[CH2:14][C:27]3=[C:18]([CH3:4])[C:22]([CH:8]=[CH2:2])=[C:30]([CH2:15][C:28]4=[C:20]([CH3:6])[C:24]([CH2:10][CH2:12][C:34](=[O:41])[OH:42])=[C:32]([CH2:16][C:31]5=[C:23]([CH2:9][CH2:11][C:33](=[O:39])[OH:40])[C:19]([CH3:5])=[C:26]([CH2:13][C:25](=[C:17]1[CH3:3])[NH:35]2)[NH:37]5)[NH:38]4)[NH:36]3

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	41
in models (compartimentalized)	25

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-189478 reactomeM:R-ALL-189478 CHEBI:57307 chebi:57307 UHSGPDMIQQYNAX-UHFFFAOYSA-L	protoporphyrinogen IX 3,3'-(8,13-diethynyl-3,7,12,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,18-diyl)dipropanoate protoporphyrinogen(2-)
bigg.metabolite:pppg9 biggM:pppg9 sabiork.compound:5384 sabiorkM:5384 kegg.compound:C01079 keggC:C01079 UHSGPDMIQQYNAX-UHFFFAOYSA-L UHSGPDMIQQYNAX-UHFFFAOYSA-N	Protoporphyrinogen IX
vmhM:pppg9 vmhmetabolite:pppg9 UHSGPDMIQQYNAX-UHFFFAOYSA-L	Protoporphyrinogen IX 3-[20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic
hmdb:HMDB0001097 UHSGPDMIQQYNAX-UHFFFAOYSA-N	Protoporphyrinogen IX 3-[20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid 5,10,15,20,22,24-Hexahydro protoporphyrin IX deriv. 7,12-Diethenyl-3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,18-dipropanoate 7,12-Diethenyl-3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,18-dipropanoic acid 7,12-Diethenyl-5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate 7,12-Diethenyl-5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid Protoporphyrinogen Protoporphyrinogen-IX
seed.compound:cpd00791 seedM:cpd00791 UHSGPDMIQQYNAX-UHFFFAOYSA-L	ProtoporphyrinogenIX 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl- Protoporphyrinogen IX pppg9 protoporphyrinogen protoporphyrinogen IX
metacyc.compound:PROTOPORPHYRINOGEN metacycM:PROTOPORPHYRINOGEN UHSGPDMIQQYNAX-UHFFFAOYSA-L	protoporphyrinogen IX 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl- protoporphyrinogen
CHEBI:15435 chebi:15435 UHSGPDMIQQYNAX-UHFFFAOYSA-N	protoporphyrinogen 7,12-diethenyl-3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,18-dipropanoic acid Protoporphyrinogen IX
hmdb:HMDB01097 chebi:14962 chebi:26359 chebi:26360 chebi:8593 biggM:M_pppg9 keggC:M_C01079 seedM:M_cpd00791 vmhM:M_pppg9	secondary/obsolete/fantasy identifier