CHEBI:169840 - Harderoporphyrin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Harderoporphyrin
ChEBI ID CHEBI:169840
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H36N4O6
Net Charge 0
Average Mass 608.695
Monoisotopic Mass 608.26348
InChI InChI=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-
InChIKey KECOXFKVIHSIBO-UJJXFSCMSA-N
SMILES OC(=O)CCC=1C=2NC(C1C)=CC3=NC(C(=C3CCC(O)=O)C)=CC=4NC(=C(C4C=C)C)C=C5N=C(C(=C5C)CCC(O)=O)C2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
Roles Classification
Biological Role(s): 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).
(via porphyrins )
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ChEBI Ontology
Outgoing 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