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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester
ChEBI ID CHEBI:100462
ChEBI ASCII Name (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C45H69NO8
Net Charge 0
Average Mass 752.033
Monoisotopic Mass 751.50232
InChI InChI=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
InChIKey JEGLJLCZRAWOBI-LHEWISCISA-N
SMILES [C@H](OCCCCCCCCCCCC)(COCCCCCCCCCCCC)COC(CCCC(OC=1C(=C2C(=CC1)N=C3C(O2)=CC(C=C3)=O)C)=O)=O
ChEBI Ontology
Outgoing (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester (CHEBI:100462) has functional parent glutaric acid (CHEBI:17859)
(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester (CHEBI:100462) is a diester (CHEBI:51307)
(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester (CHEBI:100462) is a ether lipid (CHEBI:64611)
(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester (CHEBI:100462) is a phenoxazine (CHEBI:25970)
(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester (CHEBI:100462) is enantiomer of (R)-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester (CHEBI:131618)
Incoming rac-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester (CHEBI:91111) has part (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester (CHEBI:100462)
(R)-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester (CHEBI:131618) is enantiomer of (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6ʼ-methylresorufin ester (CHEBI:100462)
IUPAC Name
(2S)-2,3-bis(dodecyloxy)propyl 6-methyl-3-oxo-3H-phenoxazin-7-yl pentanedioate
Last Modified
31 March 2016