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CHEBI:100462 - (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester

ChEBI IDCHEBI:100462
ChEBI Name(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester
Stars
ASCII Name(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester
DefinitionA diester obtained by formal condensation of the carboxy groups of glutaric acid with the hydroxy groups of (S)-1,2-di-O-dodecanylglycerol and 7-hydroxy-6-methylphenoxazin-3-one.
Last Modified31 March 2016
DownloadsMolfile
FormulaC45H69NO8
Net Charge0
Average Mass752.046
Monoisotopic Mass751.50232
SMILESCCCCCCCCCCCCOC[C@@H](COC(=O)CCCC(=O)Oc1ccc2nc3ccc(=O)cc-3oc2c1C)OCCCCCCCCCCCC
InChIInChI=1S/C45H69NO8/c1-4-6-8-10-12-14-16-18-20-22-31-50-34-38(51-32-23-21-19-17-15-13-11-9-7-5-2)35-52-43(48)25-24-26-44(49)53-41-30-29-40-45(36(41)3)54-42-33-37(47)27-28-39(42)46-40/h27-30,33,38H,4-26,31-32,34-35H2,1-3H3/t38-/m0/s1
InChIKeyJEGLJLCZRAWOBI-LHEWISCISA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester (CHEBI:100462) has functional parent glutaric acid (CHEBI:17859)
(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester (CHEBI:100462) is a diester (CHEBI:51307)
(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester (CHEBI:100462) is a ether lipid (CHEBI:64611)
(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester (CHEBI:100462) is a phenoxazine (CHEBI:25970)
(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester (CHEBI:100462) is enantiomer of (R)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester (CHEBI:131618)
Incoming Relation(s)
rac-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester (CHEBI:91111) has part (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester (CHEBI:100462)
(R)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester (CHEBI:131618) is enantiomer of (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester (CHEBI:100462)
IUPAC Name 
(2S)-2,3-bis(dodecyloxy)propyl 6-methyl-3-oxo-3H-phenoxazin-7-yl pentanedioate