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protoporphyrin IX

PropertiesImage
MNX_IDMNXM1364476 Image of MNXM1364476
referencechebi:57306
formulaC34H32N4O4
global charge-2
mol weight560.654
InChIKeyKSFOVUSSGSKXFI-UJJXFSCMSA-L
InChIInChI=1S/C34H34N4O4/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/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
SMILESC=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)[O-])=C(/C=C3\N=C(/C=C4\N/C(=C\2)C(C=C)=C4C)C(C)=C3CCC(=O)[O-])N1
MNX internals
InChI (mnx)InChI=1/C34H34N4O4/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/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- Image of MNXM1364476
SMILES (mnx)[CH2:1]=[CH:7][C:21]1=[C:17]([CH3:3])/[C:25]2=[CH:13]/[C:26]3=[N:37]/[C:31](=[CH:16]\[C:32]4=[C:24]([CH2:10][CH2:12][C:34](=[O:41])[OH:42])[C:20]([CH3:6])=[C:28](/[CH:15]=[C:30]5/[C:22]([CH:8]=[CH2:2])=[C:18]([CH3:4])[C:27](=[N:36]5)/[CH:14]=[C:29]/1[NH:35]2)[NH:38]4)[C:23]([CH2:9][CH2:11][C:33](=[O:39])[OH:40])=[C:19]3[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)31
in models (compartimentalized) 26
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-189463
reactomeM:R-ALL-189463
reactome:R-ALL-189487
reactomeM:R-ALL-189487
CHEBI:57306
chebi:57306
KSFOVUSSGSKXFI-UJJXFSCMSA-L 		protoporphyrin IX
7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoate
protoporphyrin(2-)

bigg.metabolite:ppp9
biggM:ppp9
KSFOVUSSGSKXFI-UJJXFSCMSA-L 		Protoporphyrin
hmdb:HMDB0000241
KSFOVUSSGSKXFI-UJJXFSCMSA-N 		Protoporphyrin IX
3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionate
3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionic acid
3,3'-(3,7,12,17-Tetramethyl-8,13-divinylporphine-2,18-diyl)di
3,7,12,17-Tetramethyl-8,13-divinylporphyrin-2,18-dipropanoate
3,7,12,17-Tetramethyl-8,13-divinylporphyrin-2,18-dipropanoic acid
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(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid
H2PpIX
Kammerer's prophyrin
Ooporphyrin
Porphyrinogen IX
PpIX
Protoporphyrin
Protoporphyrin-"ix"
Protoporphyrin-IX

vmhM:ppp9
vmhmetabolite:ppp9
KSFOVUSSGSKXFI-UJJXFSCMSA-L 		Protoporphyrin
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(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-

sabiork.compound:6061
sabiorkM:6061
kegg.compound:C02191
keggC:C02191
KSFOVUSSGSKXFI-UJJXFSCMSA-N 		Protoporphyrin
Porphyrinogen IX
Protoporphyrin IX

metacyc.compound:PROTOPORPHYRIN_IX
metacycM:PROTOPORPHYRIN_IX
KSFOVUSSGSKXFI-UJJXFSCMSA-L 		protoporphyrin IX

CHEBI:15430
chebi:15430
KSFOVUSSGSKXFI-UJJXFSCMSA-N 		protoporphyrin
3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionic acid
3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoic acid
7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoic acid
H2ppIX
Kammerer's prophyrin
PROTOPORPHYRIN IX
Porphyrinogen IX
Protoporphyrin
Protoporphyrin IX
ooporphyrin

hmdb:HMDB00241
chebi:14959
chebi:14960
chebi:14961
chebi:26358
chebi:8592
biggM:M_ppp9
keggC:M_C02191
vmhM:M_ppp9 		secondary/obsolete/fantasy identifier