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CHEBI:206999 - Leptosin I
| Formula | C32H32N6O7S4 |
| Net Charge | 0 |
| Average Mass | 740.911 |
| Monoisotopic Mass | 740.12153 |
| SMILES | CC(C)[C@]12SSSS[C@@]3(C(=O)N1C)[C@@H]1O[C@]45C(=O)N(C)[C@@H](CO)C(=O)N4[C@H]4Nc6ccccc6[C@]4([C@H]5O)[C@@]14c1ccccc1N[C@H]4N3C2=O |
| InChI | InChI=1S/C32H32N6O7S4/c1-14(2)31-27(44)38-24-29(16-10-6-8-12-18(16)34-24)22(32(38,26(43)36(31)4)47-49-48-46-31)45-30-21(41)28(29)15-9-5-7-11-17(15)33-23(28)37(30)20(40)19(13-39)35(3)25(30)42/h5-12,14,19,21-24,33-34,39,41H,13H2,1-4H3/t19-,21+,22+,23+,24-,28+,29-,30+,31+,32+/m0/s1 |
| InChIKey | PZFMMBJJDMZAIP-ZHAQRSJSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Leptosphaeria (ncbitaxon:5021) | - | PubMed (8002386) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Leptosin I (CHEBI:206999) is a pyrroloindole (CHEBI:48133) |
| IUPAC Name |
|---|
| (1R,2R,4R,7S,10R,18S,19R,27S,30R,37R)-37-hydroxy-7-(hydroxymethyl)-6,36-dimethyl-30-propan-2-yl-3-oxa-31,32,33,34-tetrathia-6,9,11,26,28,36-hexazadecacyclo[28.4.2.14,18.01,28.02,19.04,9.010,18.012,17.019,27.020,25]heptatriaconta-12,14,16,20,22,24-hexaene-5,8,29,35-tetrone |
| Manual Xrefs | Databases |
|---|---|
| 78436185 | ChemSpider |