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coproporphyrin III

MNXM735624 is deprecated and replaced by MNXM164684
PropertiesImage
MNX_IDMNXM164684 Image of MNXM164684
referencechebi:131725
formulaC36H34N4O8
global charge-4
mol weight650.688
InChIKeyJWFCYWSMNRLXLX-UJJXFSCMSA-J
InChIInChI=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-
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(CCC(=O)[O-])=C3C
MNX internals
InChI (mnx)InChI=1/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)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- Image of MNXM164684
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:27]3=[N:39]/[C:30](=[CH:15]\[C:28]4=[C:20]([CH3:4])[C:24]([CH2:8][CH2:12][C:36](=[O:47])[OH:48])=[C:32](/[CH:16]=[C:31]5/[C:23]([CH2:7][CH2:11][C:35](=[O:45])[OH:46])=[C:18]([CH3:2])[C:26](=[N:38]5)/[CH:13]=[C:25]/1[NH:37]2)[NH:40]4)[C:22]([CH2:6][CH2:10][C:34](=[O:43])[OH:44])=[C:19]3[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:131725
chebi:131725
JWFCYWSMNRLXLX-UJJXFSCMSA-J
coproporphyrin III
3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl)tetrapropanoate
coproporphyrin III(4-)

bigg.metabolite:cpp3
biggM:cpp3
sabiork.compound:8129
sabiorkM:8129
kegg.compound:C05770
keggC:C05770
JWFCYWSMNRLXLX-UJJXFSCMSA-J
JWFCYWSMNRLXLX-UJJXFSCMSA-N
Coproporphyrin III
hmdb:HMDB0000570
JWFCYWSMNRLXLX-UJJXFSCMSA-N
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

vmhM:C05770
vmhmetabolite:C05770
JWFCYWSMNRLXLX-UJJXFSCMSA-J
Coproporphyrin III
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

seed.compound:cpd03418
seedM:cpd03418
JWFCYWSMNRLXLX-UJJXFSCMSA-J
Coproporphyrin III
coproporphyrin III

bigg.metabolite:C05770
biggM:C05770
JWFCYWSMNRLXLX-UJJXFSCMSA-J
Coproporphyrin Iii

metacyc.compound:COPROPORPHYRIN_III
metacycM:COPROPORPHYRIN_III
SLM:000501427
slm:000501427
JWFCYWSMNRLXLX-UJJXFSCMSA-J
coproporphyrin III

CHEBI:27609
chebi:27609
JWFCYWSMNRLXLX-UJJXFSCMSA-N
coproporphyrin III
3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrapropanoic acid
Coproporphyrin III

hmdb:HMDB00570
chebi:23384
chebi:3877
biggM:M_C05770
biggM:M_cpp3
keggC:M_C05770
seedM:M_cpd03418
vmhM:M_C05770
secondary/obsolete/fantasy identifier