CHEBI:200628 - GDGT0

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name GDGT0
ChEBI ID CHEBI:200628
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C86H172O6
Net Charge 0
Average Mass 1302.316
Monoisotopic Mass 1301.31539
InChI InChI=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
InChIKey VMHUDYKDOMRJOK-UHFFFAOYSA-N
SMILES O1C(COCCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(CCCC(CCOC(COCCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(CCCC(CC1)C)C)C)C)C)C)C)C)CO)C)C)C)C)C)C)C)C)CO
ChEBI Ontology
Outgoing GDGT0 (CHEBI:200628) is a ether (CHEBI:25698)
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
Manual Xref Database
13454318 ChemSpider
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