Cepafungin I
AlkaPlorer ID: AK000082
Synonym: None
IUPAC Name: (2Z,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10R)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]-11-methyldodeca-2,4-dienamide
Structure
SMILES: CC(C)CCCCC/C=C/C=C\C(=O)N[C@H](C(=O)N[C@H]1C[C@H](O)CCNC(=O)/C=C\[C@H](C)NC1=O)[C@@H](C)O
InChI: InChI=1S/C28H46N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h7,9,11,13-15,19-23,26,33-34H,5-6,8,10,12,16-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/b9-7+,13-11-,15-14-/t20-,21+,22+,23-,26-/m0/s1
InChIKey: SVHNVAFCZJDSIW-FDVUTKBWSA-N
Reference
Isolation of cepafungins I, II and III from Pseudomonas species.
PubChem CID: 139589261
LOTUS: LTS0000001
{NPAtlas: NPA021312
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas sp. | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 534.6980000000003
TPSA？: 156.86
MolLogP？: 1.3875000000000028
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|