EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H60O4 |
| Net Charge | 0 |
| Average Mass | 544.861 |
| Monoisotopic Mass | 544.44916 |
| SMILES | [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@]([H])([C@@H](C)CC[C@H]5OC(O)[C@H](O)[C@@H]5O)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C |
| InChI | InChI=1S/C35H60O4/c1-21(9-10-24-28(36)29(37)30(38)39-24)22-13-18-32(4)23(22)14-19-34(6)26(32)11-12-27-33(5)17-8-16-31(2,3)25(33)15-20-35(27,34)7/h21-30,36-38H,8-20H2,1-7H3/t21-,22+,23-,24+,25-,26+,27+,28+,29+,30?,32-,33-,34+,35+/m0/s1 |
| InChIKey | AGSPYXOEGPQCDH-JBOYKCFMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Synechococcus elongatus PCC 7942 (ncbitaxon:32046) | cell culture (BTO:0000214) | MetaboLights (MTBLS2825) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ribosylhopane (CHEBI:190255) is a hopanoid (CHEBI:51963) |
| IUPAC Name |
|---|
| 5-[3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]butyl]oxolane-2,3,4-triol |
| Manual Xrefs | Databases |
|---|---|
| 24823193 | ChemSpider |
| LMPR04000028 | LIPID MAPS |