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CHEBI:185544 - Deuteroporphyrin IX

ChEBI IDCHEBI:185544
ChEBI NameDeuteroporphyrin IX
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30N4O4
Net Charge0
Average Mass510.594
Monoisotopic Mass510.22671
SMILESCC1=C(CCC(=O)O)c2cc3nc(cc4cc(C)c(cc5cc(C)c(cc1n2)n5)n4)C(C)=C3CCC(=O)O
InChIInChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,31-32H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-
InChIKeyVAJVGAQAYOAJQI-LMKUSPAJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
Deuteroporphyrin IX (CHEBI:185544) is a porphyrins (CHEBI:26214)
IUPAC Name 
3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid