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coproporphyrin III

Properties

Image

Occurences in reactions

MNX_ID

MNXM164684

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	7

formula

C₃₆H₃₄N₄O₈

charge

-4

mass

650.23986

reference

chebi:131725

InChIKey

JWFCYWSMNRLXLX-UJJXFSCMSA-J

InChI

InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)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-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-

SMILES

CC1=C(CCC(=O)[O-])c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)[O-])c5C)C(C)=C4CCC(=O)[O-])c(CCC(=O)[O-])c3C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131725 chebi:131725	coproporphyrin III 3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl)tetrapropanoate coproporphyrin III(4-)
sabiork.compound:8129 sabiorkM:8129 kegg.compound:C05770 keggC:C05770	Coproporphyrin III
hmdb:HMDB0000570	Coproporphyrin III 3,8,13,17-Tetramethylporphyrin-2,7,12,18-tetrapropanoate 3,8,13,17-Tetramethylporphyrin-2,7,12,18-tetrapropanoic acid 3-[9,15,19-tris(2-carboxyethyl)-5,10,14,20-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:cpd03418 seedM:cpd03418	Coproporphyrin III coproporphyrin III
bigg.metabolite:C05770 biggM:C05770	Coproporphyrin Iii
metacyc.compound:COPROPORPHYRIN_III metacycM:COPROPORPHYRIN_III	coproporphyrin III
CHEBI:27609 chebi:27609	coproporphyrin III 3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrapropanoic acid Coproporphyrin III
hmdb:HMDB00570 chebi:23384 chebi:3877 biggM:M_C05770 keggC:M_C05770 seedM:M_cpd03418	secondary/obsolete/fantasy identifier