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CHEBI:34606 - caldarchaeol

ChEBI IDCHEBI:34606
ChEBI Namecaldarchaeol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC86H172O6
Net Charge0
Average Mass1302.316
Monoisotopic Mass1301.31539
SMILESC[C@@H]1CCC[C@H](C)CCC[C@H](C)CCOCC(CO)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOCC(CO)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC[C@H](C)CCC1
InChIInChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85?,86?/m1/s1
InChIKeyVMHUDYKDOMRJOK-OQSFCRMUSA-N
ChEBI Ontology
Outgoing Relation(s)
caldarchaeol (CHEBI:34606) is a dialkylglycerol (CHEBI:37812)
Incoming Relation(s)
sn-caldarchaeo-1-phosphoethanolamine (CHEBI:35098) has functional parent caldarchaeol (CHEBI:34606)
Synonym  Source
CaldarchaeolKEGG COMPOUND
Manual XrefsDatabases
C13872KEGG COMPOUND