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Mg-13(1)-oxoprotoporphyrin 13-monomethyl ester

PropertiesImage
MNX_IDMNXM1352 Image of MNXM1352
referencechebi:60490
formulaC35H31MgN4O5
global charge-1
mol weight611.961
InChIKeyIOQIILLGNAOXJE-JXBSUKTBSA-K
InChIInChI=1S/C35H34N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15H,1-2,10-11,16H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;
SMILESC=CC1=C(C)C2=CC3=[N+]4C(=CC5=C(C(=O)CC(=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/C35H34N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15H,1-2,10-11,16H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/b24-12-,25-12-,26-13-,27-14?,28-13?,29-14-,30-15?,31-15-; Image of MNXM1352
SMILES (mnx)[CH2:1]=[CH:8][C:21]1=[C:17]([CH3:3])/[C:24]2=[CH:12]/[C:25]3=[N:38][C:30](=[CH:15][C:31]4=[N:39][C:27](=[CH:14][C:29]5=[C:22]([CH:9]=[CH2:2])[C:18]([CH3:4])=[C:26]([CH:13]=[C:28]1[N-:36]2)[NH2+:37]5)[C:20]([CH3:6])=[C:35]4[C:32]([CH2:16][C:34](=[O:43])[O:44][CH3:7])=[O:40])[C:23]([CH2:10][CH2:11][C:33](=[O:41])[OH:42])=[C:19]3[CH3:5].[Mg+2:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60490
chebi:60490
IOQIILLGNAOXJE-JXBSUKTBSA-K 		Mg-13(1)-oxoprotoporphyrin 13-monomethyl ester
magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester(1-)
magnesium 13(1)-oxoprotoporphyrinate 13-monomethyl ester
{3-[18-(3-methoxy-3-oxopropanoyl)-3,7,12,17-tetramethyl-8,13-divinylporphyrin-2-yl-kappa(4)N(21),N(22),N(23),N(24)]propanoato(3-)}magnesate(1-)

bigg.metabolite:omppp9
biggM:omppp9 		13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester

kegg.compound:C11830
keggC:C11830
IOQIILLGNAOXJE-JXBSUKTBSA-L 		13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester
13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester

metacyc.compound:131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M
metacycM:131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M 		131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester

CHEBI:15433
chebi:15433 		magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester
13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester
13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester
[7,12-diethenyl-18-(3-ethoxy-1,3-dioxopropyl)-3,8,13,17-tetramethylporphyrin-2-propanoato]magnesium(II)
{3-[18-(3-methoxy-3-oxopropanoyl)-3,7,12,17-tetramethyl-8,13-divinylporphyrin-2-yl-kappa(4)N(21),N(22),N(23),N(24)]propanoato(2-)}magnesium

chebi:10872
chebi:11323
chebi:29464
chebi:77665
biggM:M_omppp9
keggC:M_C11830 		secondary/obsolete/fantasy identifier