Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010755
PROPERTIES
| NPAID | NPA010755 |
|---|---|
| CLUSTER ID | 364 |
| NODE ID | 328 |
| NAME | Caspofungin |
| FORMULA | C52H88N10O15 |
| MOLECULAR WEIGHT (Da) | 1093.3310 |
| ACCURATE MASS (Da) | 1092.6431 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Glarea |
| ORIGIN SPECIES | lozoyensis |
| InChIKey | JYIKNQVWKBUSNH-HDVLJZKUSA-N |
| InChI | InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41?,42+,43+,44+,45+,46+/m1/s1 |
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)C(NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Letscher-Bru, V. Caspofungin: the first representative of a new antifungal class Journal of Antimicrobial Chemotherapy 2003 51 (3) 513-521. | ||
|---|---|---|---|
| DOI | 10.1093/jac/dkg117 | PMID | 12615851 |
