CHEBI:187687 - 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

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ChEBI Name 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
ChEBI ID CHEBI:187687
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
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Formula C46H79O8P
Net Charge 0
Average Mass 791.104
Monoisotopic Mass 790.55126
InChI InChI=1S/C46H79O8P/c47-27-33(48)28-53-55(49,50)54-30-34(52-24-12-8-4-2-6-10-14-32-16-18-40-42(26-32)46-38-22-20-36(38)44(40)46)29-51-23-11-7-3-1-5-9-13-31-15-17-39-41(25-31)45-37-21-19-35(37)43(39)45/h31-48H,1-30H2,(H,49,50)/t31?,32?,33-,34+,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?/m0/s1
InChIKey QIHVXBHEEVTVOD-GQSXMAELSA-N
SMILES P(OC[C@H](OCCCCCCCCC1CC2C3C(C4C3CC4)C2CC1)COCCCCCCCCC5CC6C7C(C8C7CC8)C6CC5)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:187687) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name
[(2R)-2,3-bis[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propyl] [(2S)-2,3-dihydroxypropyl] hydrogen phosphate
Manual Xrefs Databases
24823100 ChemSpider
LMGP04040005 LIPID MAPS
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