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Basic information
- CAS
116355-84-1- Standard SMILES
CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O- InChIKey
UXDPXZQHTDAXOZ-UHFFFAOYSA-N- Molecular formula
- C34H59NO14
- Average molar mass
- 705.8 g/mol
- Monoisotopic mass
- 705.39355556
Names & identifiers
- Preferred name
- Fumonisin B2 from Fusarium moniliforme, sphingosine N-acyltransferase inhibitor
- IUPAC
- 2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Names & synonyms
orb1707286UXDPXZQHTDAXOZ-UHFFFAOYSA-NAKOS030255413AS-78700NS00000146T15357Fumonisin B2 from Fusarium moniliforme, sphingosine N-acyltransferase inhibitor1,1'-[(1S,2R)-1-[(2S,9R,11S,12S)-12-Amino-9,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester-1,2,3-propanetricarboxylic acid2-[2-[13-amino-1-[1-(3,4-dicarboxybutanoyloxy)-2-methyl-hexyl]-10,12-dihydroxy-3-methyl-tetradecoxy]-2-oxo-ethyl]butanedioic acid
Database identifiers
- CAS
116355-84-1- PubChem CID
- 3432
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 268 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 31
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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