2-Amino-2-carboxy-3,4-dihydroxy-17-methyl-5-octadecene-1-sulfonic acid; (2ξ,3ξ,4ξ,5ξ)-form
AlkaPlorer ID: AK284521
Synonym: Halocapnine
IUPAC Name: (E)-2-amino-3,4-dihydroxy-17-methyl-2-(sulfomethyl)octadec-5-enoic acid
Structure
SMILES: CC(C)CCCCCCCCCC/C=C/C(O)C(O)C(N)(CS(=O)(=O)O)C(=O)O
InChI: InChI=1S/C20H39NO7S/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-17(22)18(23)20(21,19(24)25)15-29(26,27)28/h12,14,16-18,22-23H,3-11,13,15,21H2,1-2H3,(H,24,25)(H,26,27,28)/b14-12+
InChIKey: RLIIEPYSHCVMHA-WYMLVPIESA-N
Reference
PubChem CID: 101519254
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salisaeta longa | Salisaeta | Salisaetaceae | Rhodothermales | Rhodothermia | Rhodothermota | None | Bacteria |
| Salinibacter ruber | Salinibacter | Salinibacteraceae | Rhodothermales | Rhodothermia | Rhodothermota | None | Bacteria |
Properties Information
Molecule Weight: 437.59900000000016
TPSA？: 158.15
MolLogP？: 2.491299999999999
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|