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CHEBI:187632 - 1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine

ChEBI IDCHEBI:187632
ChEBI Name1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H74NO7P
Net Charge0
Average Mass772.061
Monoisotopic Mass771.52029
SMILESNCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCCC1CC2C1C1C3C4CCC4C3C21)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21
InChIInChI=1S/C45H74NO7P/c46-21-23-52-54(48,49)53-27-30(50-22-11-7-2-1-4-8-12-28-15-16-35-36(24-28)41-32-18-17-31(32)40(35)41)26-51-38(47)14-10-6-3-5-9-13-29-25-37-39(29)45-43-34-20-19-33(34)42(43)44(37)45/h28-37,39-45H,1-27,46H2,(H,48,49)/t28?,29?,30-,31?,32?,33?,34?,35?,36?,37?,39?,40?,41?,42?,43?,44?,45?/m1/s1
InChIKeyMRHVMLZZGZNKID-PIAQRKNESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine (CHEBI:187632) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]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
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24823084ChemSpider
LMGP02080002LIPID MAPS