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Mg-protoporphyrin IX 13-monomethyl ester

MNXM90366 is deprecated and here replaced by MNXM741289
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741289 Image of MNXM741289
referencechebi:60491
formulaC35H33MgN4O4
global charge-1
mol weight597.978
InChIKeyJHTBRMHXRULRGV-NCCDZXNNSA-L
InChIInChI=1S/C35H35N4O4.Mg/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(40)41)32(38-27)17-33-25(11-13-35(42)43-7)21(6)29(39-33)16-31-23(9-2)19(4)28(37-31)15-30(22)36-26;/h8-9,14-17H,1-2,10-13H2,3-7H3,(H2-,36,37,38,39,40,41);/q-1;+2/p-2/b26-14-,27-14-,28-15-,29-16-,30-15-,31-16-,32-17-,33-17-;
SMILESC=CC1=C(C)C2=CC3=[N+]4C(=CC5=C(CCC(=O)OC)C(C)=C6C=C7C(C=C)=C(C)C8=[N+]7[Mg-2]4(N2C1=C8)N65)C(CCC(=O)[O-])=C3C
MNX internals
InChI (mnx)InChI=1/C35H36N4O4.Mg/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(40)41)32(38-27)17-33-25(11-13-35(42)43-7)21(6)29(39-33)16-31-23(9-2)19(4)28(37-31)15-30(22)36-26;/h8-9,14-17H,1-2,10-13H2,3-7H3,(H3,36,37,38,39,40,41);/q;+2/b26-14-,27-14-,28-15-,29-16?,30-15?,31-16-,32-17?,33-17-; Image of MNXM741289
SMILES (mnx)[CH2:1]=[CH:8][C:22]1=[C:18]([CH3:3])/[C:26]2=[CH:14]/[C:27]3=[N:38][C:32](=[CH:17][C:33]4=[N:39][C:29](=[CH:16][C:31]5=[C:23]([CH:9]=[CH2:2])[C:19]([CH3:4])=[C:28]([CH:15]=[C:30]1[N-:36]2)[NH2+:37]5)[C:21]([CH3:6])=[C:25]4[CH2:11][CH2:13][C:35](=[O:42])[O:43][CH3:7])[C:24]([CH2:10][CH2:12][C:34](=[O:40])[OH:41])=[C:20]3[CH3:5].[Mg+2:44]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60491
chebi:60491
JHTBRMHXRULRGV-NCCDZXNNSA-L 		Mg-protoporphyrin IX 13-monomethyl ester
magnesium protoporphyrin 13-monomethyl ester(1-)
magnesium protoporphyrinate 13-monomethyl ester

kegg.compound:C04536
keggC:C04536
JHTBRMHXRULRGV-NCCDZXNNSA-M 		Magnesium protoporphyrin monomethyl ester
Magnesium protoporphyrin IX 13-methyl ester
Magnesium-protoporphyrin IX 13-monomethyl ester
Mg-protoporphyrin IX 13-monomethyl ester

CHEBI:15432
chebi:15432 		magnesium protoporphyrin 13-monomethyl ester
Magnesium protoporphyrin IX 13-methyl ester
Magnesium protoporphyrin monomethyl ester
Magnesium-protoporphyrin IX 13-monomethyl ester
Mg-Protoporphyrin IX 13-monomethyl ester
[7,12-diethenyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-2-propanoato]magnesium(II)

chebi:10794
chebi:14554
chebi:14555
chebi:25110
chebi:6639
chebi:77666
keggC:M_C04536 		secondary/obsolete/fantasy identifier