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coproporphyrin I

PropertiesImage
MNX_IDMNXM167473 Image of MNXM167473
referencechebi:167478
formulaC36H34N4O8
global charge-4
mol weight650.688
InChIKeyVORBHEGMEBOMMB-JRHDEHKPSA-J
InChIInChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/p-4/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-
SMILESCC1=C2/C=C3\N=C(/C=C4\N/C(=C\C5=N/C(=C\C(=C1CCC(=O)[O-])N2)C(C)=C5CCC(=O)[O-])C(C)=C4CCC(=O)[O-])C(C)=C3CCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15- Image of MNXM167473
SMILES (mnx)[CH3:1][C:17]1=[C:21]([CH2:5][CH2:9][C:33](=[O:41])[OH:42])/[C:29]2=[CH:14]/[C:26]3=[N:39]/[C:31](=[CH:16]\[C:28]4=[C:20]([CH3:4])[C:24]([CH2:8][CH2:12][C:36](=[O:47])[OH:48])=[C:32](/[CH:15]=[C:27]5/[C:18]([CH3:2])=[C:22]([CH2:6][CH2:10][C:34](=[O:43])[OH:44])[C:30](=[N:38]5)/[CH:13]=[C:25]/1[NH:37]2)[NH:40]4)[C:23]([CH2:7][CH2:11][C:35](=[O:45])[OH:46])=[C:19]3[CH3:3]
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:167478
chebi:167478
VORBHEGMEBOMMB-JRHDEHKPSA-J 		coproporphyrin I
coproporphyrin I(4-)

bigg.metabolite:C05769
biggM:C05769
bigg.metabolite:cpp1
biggM:cpp1
kegg.compound:C05769
keggC:C05769
VORBHEGMEBOMMB-JRHDEHKPSA-N 		Coproporphyrin I
hmdb:HMDB0000643
VORBHEGMEBOMMB-JRHDEHKPSA-N 		Coproporphyrin I
3,8,13,17-Tetramethylporphyrin-2,7,12,18-tetrapropanoate
3,8,13,17-Tetramethylporphyrin-2,7,12,18-tetrapropanoic acid
3,8,13,18-Tetramethyl-2,7,12,17-porphinetetrapropionate
3,8,13,18-Tetramethyl-2,7,12,17-porphinetetrapropionic acid
3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionate
3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic acid
3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid

vmhM:C05769
vmhmetabolite:C05769
VORBHEGMEBOMMB-JRHDEHKPSA-J 		Coproporphyrin I
3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl

seed.compound:cpd03417
seedM:cpd03417
VORBHEGMEBOMMB-JRHDEHKPSA-N 		Coproporphyrin I
coproporphyrin I

metacyc.compound:COPROPORPHYRIN_I
metacycM:COPROPORPHYRIN_I
VORBHEGMEBOMMB-JRHDEHKPSA-J 		coproporphyrin I

CHEBI:28421
chebi:28421
VORBHEGMEBOMMB-JRHDEHKPSA-N 		coproporphyrin I
3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrapropanoic acid
Coproporphyrin I

hmdb:HMDB00643
chebi:23383
chebi:3876
biggM:M_C05769
biggM:M_cpp1
keggC:M_C05769
seedM:M_cpd03417
vmhM:M_C05769 		secondary/obsolete/fantasy identifier