[Ile7]-surfactin
AlkaPlorer ID: AK016109
Synonym: None
IUPAC Name: 3-[(3S,6R,9S,12S,15R,18S,21S)-3-[(2S)-butan-2-yl]-9-(carboxymethyl)-6,15,18-tris(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C(C)C)N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCC(=O)O)N=C(O)CC(CCCCCCCCCC(C)C)OC1=O
InChI: InChI=1S/C53H93N7O13/c1-13-35(12)46-53(72)73-36(22-20-18-16-14-15-17-19-21-30(2)3)28-42(61)54-37(23-24-43(62)63)47(66)55-38(25-31(4)5)48(67)56-39(26-32(6)7)50(69)59-45(34(10)11)52(71)58-41(29-44(64)65)49(68)57-40(27-33(8)9)51(70)60-46/h30-41,45-46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,67)(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,62,63)(H,64,65)/t35-,36?,37-,38-,39+,40+,41-,45-,46-/m0/s1
InChIKey: JNNXJHQKBJBXQH-RBBWHCKKSA-N
Reference
Structural and Conformational Studies of (Ile7) and (Leu7)Surfactins from Bacillus subtilis natto.
PubChem CID: 10153855
LOTUS: LTS0023382
{NPAtlas: NPA000461
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Bacillus | Bacillidae | Phasmatodea | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1036.3629999999991
TPSA？: 329.03
MolLogP？: 10.924399999999991
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|