CHEBI:183189 - 1-(8-(5)-ladderane-octanoyl)-2-(8-(3)-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

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ChEBI Name 1-(8-(5)-ladderane-octanoyl)-2-(8-(3)-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
ChEBI ID CHEBI:183189
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H75O9P
Net Charge 0
Average Mass 803.071
Monoisotopic Mass 802.51487
InChI InChI=1S/C46H75O9P/c47-24-30(48)25-54-56(50,51)55-27-31(52-21-11-7-2-1-4-8-12-28-15-16-36-37(22-28)42-33-18-17-32(33)41(36)42)26-53-39(49)14-10-6-3-5-9-13-29-23-38-40(29)46-44-35-20-19-34(35)43(44)45(38)46/h28-38,40-48H,1-27H2,(H,50,51)/t28?,29?,30-,31+,32?,33?,34?,35?,36?,37?,38?,40?,41?,42?,43?,44?,45?,46?/m0/s1
InChIKey CNGMYZCFNFFBPY-JUUIFCSUSA-N
SMILES P(OC[C@H](OCCCCCCCCC1CC2C3C(C4C3CC4)C2CC1)COC(=O)CCCCCCCC5C6C7C(C8C7C9C8CC9)C6C5)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Trypanosoma brucei (NCBI:txid5691) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing 1-(8-(5)-ladderane-octanoyl)-2-(8-(3)-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:183189) is a ether lipid (CHEBI:64611)
1-(8-(5)-ladderane-octanoyl)-2-(8-(3)-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:183189) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propyl] 8-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)octanoate
Manual Xrefs Databases
24823101 ChemSpider
LMGP04040006 LIPID MAPS
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