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CHEBI:219422 - Cholesteryl-6-O-phosphatidyl-a-D-glucopyranoside

ChEBI IDCHEBI:219422
ChEBI NameCholesteryl-6-O-phosphatidyl-a-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC68H123O13P
Net Charge0
Average Mass1179.693
Monoisotopic Mass1178.87013
SMILESCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1OC(O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C68H123O13P/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-37-61(69)76-48-55(79-62(70)38-33-31-29-27-25-23-21-19-17-15-13-11-9-2)49-77-82(74,75)78-50-60-63(71)64(72)65(73)66(81-60)80-54-43-45-67(6)53(47-54)39-40-56-58-42-41-57(52(5)36-34-35-51(3)4)68(58,7)46-44-59(56)67/h39,51-52,54-60,63-66,71-73H,8-38,40-50H2,1-7H3,(H,74,75)/t52-,54+,55?,56+,57-,58+,59+,60?,63?,64?,65?,66?,67+,68-/m1/s1
InChIKeyNXMCVIAGVDODGT-FSPOPZPRSA-N
Species of MetaboliteComponentSourceComments
Helicobacter pylori (ncbitaxon:210) - PubMed (7665522)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cholesteryl-6-O-phosphatidyl-a-D-glucopyranoside (CHEBI:219422) is a steroid saponin (CHEBI:61655)
IUPAC Name 
[3-[[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Manual XrefsDatabases
78444994ChemSpider