Not named
AlkaPlorer ID: AK052415
Synonym: None
IUPAC Name: 3-[(3S,6S,9S,12S,15S,18S,21S,25R)-9-(carboxymethyl)-12-methyl-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-25-pentadecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
Structure
SMILES: CCCCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1
InChI: InChI=1S/C54H95N7O13/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-38-31-45(62)56-39(25-26-46(63)64)49(68)58-41(28-34(4)5)51(70)59-40(27-33(2)3)50(69)55-37(10)48(67)57-43(32-47(65)66)53(72)60-42(29-35(6)7)52(71)61-44(30-36(8)9)54(73)74-38/h33-44H,11-32H2,1-10H3,(H,55,69)(H,56,62)(H,57,67)(H,58,68)(H,59,70)(H,60,72)(H,61,71)(H,63,64)(H,65,66)/t37-,38+,39-,40-,41-,42-,43-,44-/m0/s1
InChIKey: JEOWGDWWVLJXAD-MQRRDULVSA-N
Reference
Antifungal Lipopeptides from <i>Bacillus amyloliquefaciens</i> Strain BO7
PubChem CID: 51039820
LOTUS: LTS0155885
SuperNatural Ⅲ: SN0163381-01
NPASS: NPC145748
{NPAtlas: NPA003414
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Bacillus | Bacillidae | Phasmatodea | Insecta | Arthropoda | Metazoa | Eukaryota |
| Bacillus amyloliquefaciens | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1050.3899999999996
TPSA？: 304.6
MolLogP？: 5.720600000000014
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Penicillium digitatum | Penicillium digitatum | EC50 | 88.46 | ug.mL-1 | 10.1021/np100408y |
| None | Molecular identity unknown | Activity | 25.0 | % | 10.1021/np100408y |
| None | Molecular identity unknown | Activity | 56.0 | % | 10.1021/np100408y |