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protoporphyrin IX

Properties

Image

Occurences in reactions

MNX_ID

MNXM1365674

	#reac
in my sandbox	0
in MNXref (generic)	41
in models (compartimentalized)	26

formula

C₃₄H₃₂N₄O₄

charge

-2

mass

560.654

reference

chebi:57306

InChIKey

KSFOVUSSGSKXFI-UJJXFSCMSA-L

InChI

InChI=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-

SMILES

[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[n:36][c:27]([cH:14][c:29]1[nH:35]2)[C:18]([CH3:4])=[C:22]5[CH:8]=[CH2:2])[nH:38]4)[C:23]([CH2:9][CH2:11][C:33](=[O:39])[OH:40])=[C:19]3[CH3:5]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57306 chebi:57306	protoporphyrin IX 7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoate protoporphyrin(2-)
bigg.metabolite:ppp9 biggM:ppp9	Protoporphyrin
hmdb:HMDB0000241	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	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	Protoporphyrin Porphyrinogen IX Protoporphyrin IX
seed.compound:cpd01476 seedM:cpd01476	Protoporphyrin Porphyrinogen IX Protoporphyrin IX ppp9 protoporphyrin protoporphyrin IX
metacyc.compound:PROTOPORPHYRIN_IX metacycM:PROTOPORPHYRIN_IX	protoporphyrin IX
hmdb:HMDB00241 biggM:M_ppp9 keggC:M_C02191 seedM:M_cpd01476	secondary/obsolete/fantasy identifier