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CHEBI:204970 - Calditoglycerocaldarchaeol

ChEBI IDCHEBI:204970
ChEBI NameCalditoglycerocaldarchaeol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC92H174O11
Net Charge0
Average Mass1456.393
Monoisotopic Mass1455.30562
SMILESCC1CCCC2CCC(C2)C(C)CCCC(C)CCC(C)CCCC(C)C2CCC(CCCC(C)CCOC(COC3[C@@H](O)[C@H](O)[C@H](O)[C@]3(O)CO)COCCC(C)CCCC3CCC(C3)C(C)CCCC(C)CCC(C)CCCC(C)C3CCC(CCCC(C)CCOC(CO)COCC1)C3)C2
InChIInChI=1S/C92H174O11/c1-66-21-13-29-74(9)82-45-41-78(57-82)33-17-25-70(5)49-53-99-62-86(61-93)101-55-51-72(7)27-19-35-80-43-47-84(59-80)76(11)31-15-23-68(3)39-37-67(2)22-14-30-75(10)83-46-42-79(58-83)34-18-26-71(6)50-54-100-63-87(64-103-91-89(96)88(95)90(97)92(91,98)65-94)102-56-52-73(8)28-20-36-81-44-48-85(60-81)77(12)32-16-24-69(4)40-38-66/h66-91,93-98H,13-65H2,1-12H3/t66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88-,89-,90-,91?,92+/m0/s1
InChIKeyOZGOKOLHFUZHBK-ZQXTUVRUSA-N
Species of MetaboliteComponentSourceComments
Sulfolobusspecies (ncbitaxon:2288) - PubMed (18339312)
ChEBI Ontology
Outgoing Relation(s)
Calditoglycerocaldarchaeol (CHEBI:204970) is a cyclopentanols (CHEBI:23495)
IUPAC Name 
(1R,2S,3S,4S)-1-(hydroxymethyl)-5-[[61-(hydroxymethyl)-2,6,9,13,21,30,38,42,45,49,57,66-dodecamethyl-24,27,60,63-tetraoxapentacyclo[68.2.1.114,17.134,37.150,53]hexaheptacontan-25-yl]methoxy]cyclopentane-1,2,3,4-tetrol