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CHEBI:200628 - GDGT0

ChEBI IDCHEBI:200628
ChEBI NameGDGT0
Stars
Last Modified10 July 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC86H172O6
Net Charge0
Average Mass1302.316
Monoisotopic Mass1301.31539
SMILESCC1CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(CO)COCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(CO)COCCC(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
InChIKeyVMHUDYKDOMRJOK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
GDGT0 (CHEBI:200628) is a ether (CHEBI:25698)
Incoming Relation(s)
GMGT-0 (CHEBI:231648) has functional parent GDGT0 (CHEBI:200628)
IUPAC Name 
[38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol
UniProt Name  Source
GDGT-0UniProt
Manual XrefsDatabases
13454318ChemSpider