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CHEBI:89912 - Heptacarboxylporphyrin I

ChEBI IDCHEBI:89912
ChEBI NameHeptacarboxylporphyrin I
Stars
DownloadsMolfile
FormulaC39H38N4O14
Net Charge0
Average Mass786.747
Monoisotopic Mass786.23845
SMILESCC1=C(CCC(=O)O)c2cc3nc(cc4nc(cc5nc(cc1n2)c(CCC(=O)O)c5CC(=O)O)C(CCC(=O)O)=C4CC(=O)O)c(CCC(=O)O)c3CC(=O)O
InChIInChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-30-23(11-38(54)55)20(4-8-35(48)49)28(42-30)16-32-24(12-39(56)57)21(5-9-36(50)51)29(43-32)15-31-22(10-37(52)53)19(3-7-34(46)47)27(41-31)13-25(17)40-26/h13-16,41-42H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-13-,28-16-,29-15-,30-14-,31-15-,32-16-
InChIKeyGWTVAIDNCPVMLP-YBWGHNILSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (10905759)
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)
Heptacarboxylporphyrin I (CHEBI:89912) is a porphyrins (CHEBI:26214)
Synonyms  Source
3-[9,14,19-tris(2-carboxyethyl)-10,15,20-tris(carboxymethyl)-5-methyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoic acidHMDB
Heptacarboxylic acid porphyrin IHMDB
HeptaporphyrinHMDB
Manual XrefsDatabases
HMDB0000737HMDB
Registry NumbersSources
CAS:65406-45-3KEGG COMPOUND
Citations