Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006544
PROPERTIES
| NPAID | NPA006544 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Iturin C3 |
| FORMULA | C50H77N11O15 |
| MOLECULAR WEIGHT (Da) | 1072.2280 |
| ACCURATE MASS (Da) | 1071.5601 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. |
| InChIKey | QUXLPJFBZHRAAF-NDXBOBJVSA-N |
| InChI | InChI=1S/C50H77N11O15/c1-28(2)12-9-7-5-3-4-6-8-10-13-30-23-42(67)55-36(26-43(68)69)47(73)57-33(22-29-15-17-31(63)18-16-29)44(70)58-34(24-40(52)65)45(71)56-32(19-20-39(51)64)50(76)61-21-11-14-38(61)49(75)59-35(25-41(53)66)46(72)60-37(27-62)48(74)54-30/h15-18,28,30,32-38,62-63H,3-14,19-27H2,1-2H3,(H2,51,64)(H2,52,65)(H2,53,66)(H,54,74)(H,55,67)(H,56,71)(H,57,73)(H,58,70)(H,59,75)(H,60,72)(H,68,69)/t30?,32-,33-,34-,35-,36-,37-,38-/m0/s1 |
| SMILES | CC(C)CCCCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Park; Hasumi; Endo Inhibition of the binding of oxidized low density lipoprotein to the macrophages by iturin C-related compounds Journal of Antibiotics 1995 48 (3) 226-232. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.226 | PMID | 7730157 |
