EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34723 - diphospho heptaacyl lipid A

ChEBI IDCHEBI:34723
ChEBI Namediphospho heptaacyl lipid A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC110H208N2O26P2
Net Charge0
Average Mass2036.810
Monoisotopic Mass2035.44906
SMILESCCCCCCCCCCCCCCCC(=O)OC(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)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)CC(O)CCCCCCCCCCC
InChIInChI=1S/C110H208N2O26P2/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-82-98(117)130-91(78-71-64-57-50-39-32-25-18-11-4)85-96(115)111-103-107(135-101(120)84-90(114)77-70-63-56-49-38-31-24-17-10-3)105(122)95(134-110(103)138-140(126,127)128)89-129-109-104(112-97(116)86-92(79-72-65-58-51-40-33-26-19-12-5)131-99(118)81-74-67-60-53-42-35-28-21-14-7)108(106(94(88-113)133-109)137-139(123,124)125)136-102(121)87-93(80-73-66-59-52-41-34-27-20-13-6)132-100(119)83-76-69-61-54-47-44-37-30-23-16-9-2/h90-95,103-110,113-114,122H,8-89H2,1-7H3,(H,111,115)(H,112,116)(H2,123,124,125)(H2,126,127,128)/t90?,91?,92?,93?,94-,95-,103-,104-,105-,106-,107-,108-,109-,110-/m1/s1
InChIKeyVOXDTCSXQHOYKC-FHXZEESPSA-N
ChEBI Ontology
Outgoing Relation(s)
diphospho heptaacyl lipid A (CHEBI:34723) is a lipid As (CHEBI:25051)
Synonym  Source
Diphosphoryl heptaacyl lipid AKEGG COMPOUND
Manual XrefsDatabases
C13909KEGG COMPOUND