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CHEBI:186050 - OH-Chlorobactene glucoside laurate
| Formula | C57H84O7 |
| Net Charge | 0 |
| Average Mass | 881.292 |
| Monoisotopic Mass | 880.62171 |
| SMILES | CCCCCCCCCCCC(=O)OC1O[C@@H](OC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c2c(C)ccc(C)c2C)C(O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C57H84O7/c1-12-13-14-15-16-17-18-19-20-36-51(58)62-55-53(60)52(59)54(61)56(63-55)64-57(10,11)41-26-35-45(5)33-24-32-44(4)31-23-29-42(2)27-21-22-28-43(3)30-25-34-46(6)37-40-50-48(8)39-38-47(7)49(50)9/h21-25,27-34,37-40,52-56,59-61H,12-20,26,35-36,41H2,1-11H3/b22-21+,29-23+,30-25+,32-24+,40-37+,42-27+,43-28+,44-31+,45-33+,46-34+/t52-,53-,54?,55?,56-/m0/s1 |
| InChIKey | XDILZOXPCGINLJ-BPUDTEQMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| OH-Chlorobactene glucoside laurate (CHEBI:186050) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [(3S,4R,6R)-6-[(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl] dodecanoate |
| Manual Xrefs | Databases |
|---|---|
| LMPR01070167 | LIPID MAPS |