heme

Ligand id: 4349

Name: heme

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 100.38
Molecular weight 616.18
XLogP 3.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Metabolite or derivative
IUPAC Name
3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)
Synonyms
ferroheme | haem
Database Links
CAS Registry No. 14875-96-8
ChEBI CHEBI:30413
GtoPdb PubChem SID 178101166
PubChem CID 26945
Search Google for chemical match using the InChIKey KABFMIBPWCXCRK-UHFFFAOYSA-L
Search Google for chemicals with the same backbone KABFMIBPWCXCRK
Search UniChem for chemical match using the InChIKey KABFMIBPWCXCRK-UHFFFAOYSA-L
Search UniChem for chemicals with the same backbone KABFMIBPWCXCRK
SynPHARM 9464 (in complex with Rev-Erb-β)
Wikipedia Heme