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coproporphyrin I

Properties

Image

Occurences in reactions

MNX_ID

MNXM167473

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	5

formula

C₃₆H₃₈N₄O₈

charge

mass

654.26896

reference

chebi:28421

InChIKey

VORBHEGMEBOMMB-JRHDEHKPSA-N

InChI

InChI=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)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-

SMILES

CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)C(CCC(=O)O)=C4C)c(CCC(=O)O)c3C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28421 chebi:28421	coproporphyrin I 3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrapropanoic acid Coproporphyrin I
bigg.metabolite:C05769 biggM:C05769 bigg.metabolite:cpp1 biggM:cpp1 kegg.compound:C05769 keggC:C05769	Coproporphyrin I
hmdb:HMDB0000643	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
seed.compound:cpd03417 seedM:cpd03417	Coproporphyrin I coproporphyrin I
metacyc.compound:COPROPORPHYRIN_I metacycM:COPROPORPHYRIN_I	coproporphyrin I
CHEBI:167478 chebi:167478	coproporphyrin I coproporphyrin I(4-)
hmdb:HMDB00643 chebi:23383 chebi:3876 biggM:M_C05769 biggM:M_cpp1 keggC:M_C05769 seedM:M_cpd03417	secondary/obsolete/fantasy identifier