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CHEBI:87244 - lipid IVB

ChEBI IDCHEBI:87244
ChEBI Namelipid IVB
Stars
ASCII Namelipid IVB
DefinitionA member of the class of lipid As that is lipid IVA in which one of the free OH groups on the two N-hydroxytetradecanoyl groups is carrying a palimitoyl group.
Last Modified31 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC84H160N2O24P2
Net Charge0
Average Mass1644.142
Monoisotopic Mass1643.08363
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
InChIInChI=1S/C84H160N2O24P2/c1-6-11-16-21-26-31-32-33-34-39-44-49-54-59-74(93)104-69(58-53-48-43-38-30-25-20-15-10-5)63-73(92)86-77-81(107-75(94)61-67(89)56-51-46-41-36-28-23-18-13-8-3)79(96)71(106-84(77)110-112(100,101)102)65-103-83-78(85-72(91)60-66(88)55-50-45-40-35-27-22-17-12-7-2)82(80(70(64-87)105-83)109-111(97,98)99)108-76(95)62-68(90)57-52-47-42-37-29-24-19-14-9-4/h66-71,77-84,87-90,96H,6-65H2,1-5H3,(H,85,91)(H,86,92)(H2,97,98,99)(H2,100,101,102)/t66-,67-,68-,69-,70-,71-,77-,78-,79-,80-,81-,82-,83-,84-/m1/s1
InChIKeyAAVXLHPJFCDXQA-HWRCWJQOSA-N
ChEBI Ontology
Outgoing Relation(s)
lipid IVB (CHEBI:87244) has functional parent lipid IVA (CHEBI:29056)
lipid IVB (CHEBI:87244) is a lipid As (CHEBI:25051)
Manual XrefsDatabases
CPD0-1281MetaCyc