CHEBI:169840 - Harderoporphyrin

ChEBI IDCHEBI:169840
ChEBI NameHarderoporphyrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H36N4O6
Net Charge0
Average Mass608.695
Monoisotopic Mass608.26348
SMILESC=Cc1c(C)c2cc3nc(cc4nc(cc5nc(cc1n2)C(C)=C5CCC(=O)O)c(C)c4CCC(=O)O)C(CCC(=O)O)=C3C
InChIInChI=1S/C35H36N4O6/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25/h6,13-16,36,39H,1,7-12H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
InChIKeyKECOXFKVIHSIBO-UJJXFSCMSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
Harderoporphyrin (CHEBI:169840) is a porphyrins (CHEBI:26214)
IUPAC Name 
3-[7,18-bis(2-carboxyethyl)-12-ethenyl-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid