Basic information
- Standard SMILES
Cc1c(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)c(C)c3CCC(=O)O- InChIKey
ZAKGXCNMJBQQNZ-UHFFFAOYSA-N- Molecular formula
- C34H34N4O10
- Average molar mass
- 658.7 g/mol
- Monoisotopic mass
- 658.22749329
Overview
Heme D is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- 3-[18-(2-Carboxyethyl)-8,13-bis(carboxymethyl)-3,8,13,17-tetramethyl-7,12-dioxo-21,24-dihydroporphyrin-2-yl]propanoic acid
- IUPAC
- 3-[18-(2-carboxyethyl)-8,13-bis(carboxymethyl)-3,8,13,17-tetramethyl-7,12-dioxo-21,24-dihydroporphyrin-2-yl]propanoic acid
Names & synonyms
DTXSID201344287
Database identifiers
- PubChem CID
- 3582
- DTXSID
DTXSID201344287- Nikkaji
- J2.254.525F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 241 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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